6-imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one

C10H13NO — CID 90712963

IUPAC6-imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one
SMILES[H]/N=C1\C=CC2C(=O)CCCC2C1
InChIInChI=1S/C10H13NO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-5,7,9,11H,1-3,6H2/b11-8+
InChIKeyCIKZXSSQOIAZKR-DHZHZOJOSA-N
MW163.22 g/mol
LogP1.95
Rot. Bonds

About 6-imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one

6-imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one (PubChem CID 90712963) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 6-imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one.

Molecular Properties

Compound Name6-imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one
PubChem CID90712963
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name6-imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one
SMILES[H]/N=C1\C=CC2C(=O)CCCC2C1
InChIInChI=1S/C10H13NO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-5,7,9,11H,1-3,6H2/b11-8+
InChIKeyCIKZXSSQOIAZKR-DHZHZOJOSA-N
XLogP1.95
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(6-Oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium
CID 135015036
5-Imino-1,3,4,4a,6,8a-hexahydronaphthalen-2-one
CID 57115373
1-Cyclohex-3-en-1-yl-1-iminopropan-2-one
CID 89105658
1-(4-Iminocyclohex-2-en-1-yl)ethanone
CID 90892543
8-Imino-1,3,5,8a-tetrahydronaphthalen-2-one
CID 91425909
6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one
CID 123160987
3-Imino-2-(2-methylidenehexa-3,5-dienyl)cyclohexan-1-one
CID 124025671
3-Imino-3a,4,7,7a-tetrahydroinden-1-one
CID 134287895
1-Imino-4a,5,6,7,8,8a-hexahydronaphthalen-2-one
CID 141766654
(2E)-2-diazo-4a,5,6,7,8,8a-hexahydronaphthalen-1-one
CID 145860242
2-Imino-4a,8a-dihydronaphthalen-1-one
CID 146326377
4-hydrazinylidene-6,7,8,8a-tetrahydro-1H-naphthalen-2-one
CID 156776019

Frequently Asked Questions

What is the IUPAC name of 6-imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one?
The IUPAC name of 6-imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one (CID 90712963) is 6-imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one.
What is the SMILES notation for 6-imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one?
The canonical SMILES for 6-imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one is [H]/N=C1\C=CC2C(=O)CCCC2C1.
What is the InChIKey of 6-imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one?
The InChIKey is CIKZXSSQOIAZKR-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13NO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-5,7,9,11H,1-3,6H2/b11-8+.
What are the key properties of 6-imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one?
6-imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one has a molecular weight of 163.22 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one is sourced from PubChem (CID 90712963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).