(1E)-10-hydroxy-1-hydroxyimino-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinolin-7-one

C18H26N2O3 — CID 172986482

IUPAC(1E)-10-hydroxy-1-hydroxyimino-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinolin-7-one
SMILESCC12CCC(=O)NC1=CCC1C2C(O)CC2(C)/C(=N/O)CCC12
InChIInChI=1S/C18H26N2O3/c1-17-8-7-15(22)19-13(17)5-3-10-11-4-6-14(20-23)18(11,2)9-12(21)16(10)17/h5,10-12,16,21,23H,3-4,6-9H2,1-2H3,(H,19,22)/b20-14+
InChIKeyDAPUGDDJRMVBFJ-XSFVSMFZSA-N
MW318.42 g/mol
LogP2.43
Rot. Bonds

About (1E)-10-hydroxy-1-hydroxyimino-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinolin-7-one

(1E)-10-hydroxy-1-hydroxyimino-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinolin-7-one (PubChem CID 172986482) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (1E)-10-hydroxy-1-hydroxyimino-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name(1E)-10-hydroxy-1-hydroxyimino-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinolin-7-one
PubChem CID172986482
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(1E)-10-hydroxy-1-hydroxyimino-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinolin-7-one
SMILESCC12CCC(=O)NC1=CCC1C2C(O)CC2(C)/C(=N/O)CCC12
InChIInChI=1S/C18H26N2O3/c1-17-8-7-15(22)19-13(17)5-3-10-11-4-6-14(20-23)18(11,2)9-12(21)16(10)17/h5,10-12,16,21,23H,3-4,6-9H2,1-2H3,(H,19,22)/b20-14+
InChIKeyDAPUGDDJRMVBFJ-XSFVSMFZSA-N
XLogP2.43
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1E)-1-hydrazinylidene-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinolin-7-one
CID 87577625
(5R,8S,9S,10S,11R,13S,14S,17Z)-17-hydroxyimino-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-11-ol
CID 99572990
(17E)-17-hydroxyimino-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-11-ol
CID 6386874
(8S,9S,10R,11S,13S,14S)-11-hydroxy-3,10,13-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
CID 129389425
(3aR,3bR,9aS,9bR,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid
CID 134128039
(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid
CID 54440580
(10R,13S,17E)-17-hydroxyimino-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol
CID 132783758
(8R,9S,10R,13S,14S)-17-hydroxyimino-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol
CID 87551042
(1S,2R,3aS,3bS,9aR,9bS,11aS)-1-(1-hydroxyethyl)-2,9a,11a-trimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 22879803
(3aS,3bR,9aR,9bS,11aS)-8-hydroxy-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,7-dione
CID 54522758
(NE)-N-[(8R,9S,10R,13S,14S)-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine
CID 20845759
(8S,9R,10R,13S,14S)-3-ethoxy-11-hydroxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
CID 69264506

Frequently Asked Questions

What is the IUPAC name of (1E)-10-hydroxy-1-hydroxyimino-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinolin-7-one?
The IUPAC name of (1E)-10-hydroxy-1-hydroxyimino-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinolin-7-one (CID 172986482) is (1E)-10-hydroxy-1-hydroxyimino-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinolin-7-one.
What is the SMILES notation for (1E)-10-hydroxy-1-hydroxyimino-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinolin-7-one?
The canonical SMILES for (1E)-10-hydroxy-1-hydroxyimino-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinolin-7-one is CC12CCC(=O)NC1=CCC1C2C(O)CC2(C)/C(=N/O)CCC12.
What is the InChIKey of (1E)-10-hydroxy-1-hydroxyimino-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinolin-7-one?
The InChIKey is DAPUGDDJRMVBFJ-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-17-8-7-15(22)19-13(17)5-3-10-11-4-6-14(20-23)18(11,2)9-12(21)16(10)17/h5,10-12,16,21,23H,3-4,6-9H2,1-2H3,(H,19,22)/b20-14+.
What are the key properties of (1E)-10-hydroxy-1-hydroxyimino-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinolin-7-one?
(1E)-10-hydroxy-1-hydroxyimino-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinolin-7-one has a molecular weight of 318.42 g/mol, XLogP of 2.43, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-10-hydroxy-1-hydroxyimino-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 172986482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).