6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one

C11H15NO — CID 123160987

IUPAC6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one
SMILES[H]/N=C1\C=CC2C(=O)CCCC2(C)C1
InChIInChI=1S/C11H15NO/c1-11-6-2-3-10(13)9(11)5-4-8(12)7-11/h4-5,9,12H,2-3,6-7H2,1H3/b12-8+
InChIKeyCKEBEQGJKWDQNU-XYOKQWHBSA-N
MW177.25 g/mol
LogP2.34
Rot. Bonds

About 6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one

6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one (PubChem CID 123160987) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one
PubChem CID123160987
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one
SMILES[H]/N=C1\C=CC2C(=O)CCCC2(C)C1
InChIInChI=1S/C11H15NO/c1-11-6-2-3-10(13)9(11)5-4-8(12)7-11/h4-5,9,12H,2-3,6-7H2,1H3/b12-8+
InChIKeyCKEBEQGJKWDQNU-XYOKQWHBSA-N
XLogP2.34
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-Imino-1,3,4,4a,6,8a-hexahydronaphthalen-2-one
CID 57115373
(8S,10S,13S,14S,17S)-17-acetyl-4-imino-10,13-dimethyl-2,5,8,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one
CID 57184820
3-Imino-5,5-dimethyl-2-(3,6,7-trimethylideneundeca-4,8,10-trien-2-yl)cyclohexan-1-one
CID 90711489
6-Imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one
CID 90712963
8-Imino-1,3,5,8a-tetrahydronaphthalen-2-one
CID 91425909
(8R,9R,10R,13S,14S)-3-imino-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-one
CID 91459006
(8R,9R,10S,13S,14S)-3-imino-10,13-dimethyl-5,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-one
CID 91604645
3-Imino-2-(2-methylhexa-3,5-dienyl)cyclohexan-1-one
CID 123323603
5-Imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one
CID 123635917
1-[5-Imino-2-(2-methylpropyl)cyclohex-3-en-1-yl]prop-2-en-1-one
CID 123709377
(Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one
CID 129233475
1-Imino-4a,5,6,7,8,8a-hexahydronaphthalen-2-one
CID 141766654

Frequently Asked Questions

What is the IUPAC name of 6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one (CID 123160987) is 6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one is [H]/N=C1\C=CC2C(=O)CCCC2(C)C1.
What is the InChIKey of 6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one?
The InChIKey is CKEBEQGJKWDQNU-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15NO/c1-11-6-2-3-10(13)9(11)5-4-8(12)7-11/h4-5,9,12H,2-3,6-7H2,1H3/b12-8+.
What are the key properties of 6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one?
6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one has a molecular weight of 177.25 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 123160987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).