(NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine

C10H17NO — CID 134892693

IUPAC(NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine
SMILESC[C@]12CCCC[C@H]1CC/C2=N\O
InChIInChI=1S/C10H17NO/c1-10-7-3-2-4-8(10)5-6-9(10)11-12/h8,12H,2-7H2,1H3/b11-9+/t8-,10-/m0/s1
InChIKeyMDWKOWTUOVSITJ-YZKIGLJMSA-N
MW167.25 g/mol
LogP2.81
Rot. Bonds

About (NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine

(NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine (PubChem CID 134892693) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine
PubChem CID134892693
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine
SMILESC[C@]12CCCC[C@H]1CC/C2=N\O
InChIInChI=1S/C10H17NO/c1-10-7-3-2-4-8(10)5-6-9(10)11-12/h8,12H,2-7H2,1H3/b11-9+/t8-,10-/m0/s1
InChIKeyMDWKOWTUOVSITJ-YZKIGLJMSA-N
XLogP2.81
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(5R,10S,13S)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine
CID 163355755
(NE)-N-[(5S,8S,9S,10R,13R,14S)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine
CID 6339923
(NZ)-N-[(1R,5S)-1,8,8-trimethyl-2-bicyclo[3.2.1]octanylidene]hydroxylamine
CID 23376293
(3E,3aS,7aS)-3-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene
CID 21160609
(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
(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
6a-methyl-2,3,3a,4,5,6-hexahydropentalen-1-one
CID 13215924
3a-methyl-1,2,3,5,6,7,8,8a-octahydroazulen-4-one
CID 557031
3-hydroxyimino-2,2-dimethylcyclopentan-1-ol
CID 86707700
(2R,4aS)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
CID 67848050
(NZ)-N-[(3Z,5S,8R,9S,10S,13S,14S)-3-hydroxyimino-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hydroxylamine
CID 99569058
N-[(3E,5S,10S,13S)-3-hydroxyimino-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hydroxylamine
CID 172916707

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine (CID 134892693) is (NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine is C[C@]12CCCC[C@H]1CC/C2=N\O.
What is the InChIKey of (NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine?
The InChIKey is MDWKOWTUOVSITJ-YZKIGLJMSA-N. The full InChI is InChI=1S/C10H17NO/c1-10-7-3-2-4-8(10)5-6-9(10)11-12/h8,12H,2-7H2,1H3/b11-9+/t8-,10-/m0/s1.
What are the key properties of (NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine?
(NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine has a molecular weight of 167.25 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine is sourced from PubChem (CID 134892693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).