9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one

C13H14N2O2 — CID 71336504

IUPAC9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one
SMILESO=C1CCc2cc3c(cc2N1)C(=NO)CCC3
InChIInChI=1S/C13H14N2O2/c16-13-5-4-9-6-8-2-1-3-11(15-17)10(8)7-12(9)14-13/h6-7,17H,1-5H2,(H,14,16)
InChIKeyGJTPXNPKFBJIRL-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.09
Rot. Bonds

About 9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one

9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one (PubChem CID 71336504) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one.

Molecular Properties

Compound Name9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one
PubChem CID71336504
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one
SMILESO=C1CCc2cc3c(cc2N1)C(=NO)CCC3
InChIInChI=1S/C13H14N2O2/c16-13-5-4-9-6-8-2-1-3-11(15-17)10(8)7-12(9)14-13/h6-7,17H,1-5H2,(H,14,16)
InChIKeyGJTPXNPKFBJIRL-UHFFFAOYSA-N
XLogP2.09
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 14976592
3,4,6,7,8,9-hexahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 2749367
N-(6-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 173464741
(NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 145095374
N-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 139781117
7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 43165341
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one
CID 114966826
8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 139310481
7-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 10965641
N-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 58794270
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281

Frequently Asked Questions

What is the IUPAC name of 9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one?
The IUPAC name of 9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one (CID 71336504) is 9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one.
What is the SMILES notation for 9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one?
The canonical SMILES for 9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one is O=C1CCc2cc3c(cc2N1)C(=NO)CCC3.
What is the InChIKey of 9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one?
The InChIKey is GJTPXNPKFBJIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-13-5-4-9-6-8-2-1-3-11(15-17)10(8)7-12(9)14-13/h6-7,17H,1-5H2,(H,14,16).
What are the key properties of 9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one?
9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one has a molecular weight of 230.27 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one is sourced from PubChem (CID 71336504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).