1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone

C19H24O — CID 114976389

IUPAC1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)C2C3CCc4ccccc4C32)C1
InChIInChI=1S/C19H24O/c1-12-5-4-7-14(11-12)19(20)18-16-10-9-13-6-2-3-8-15(13)17(16)18/h2-3,6,8,12,14,16-18H,4-5,7,9-11H2,1H3
InChIKeyJJTPDHXRGRNWED-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.36
Rot. Bonds2

About 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone (PubChem CID 114976389) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone
PubChem CID114976389
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)C2C3CCc4ccccc4C32)C1
InChIInChI=1S/C19H24O/c1-12-5-4-7-14(11-12)19(20)18-16-10-9-13-6-2-3-8-15(13)17(16)18/h2-3,6,8,12,14,16-18H,4-5,7,9-11H2,1H3
InChIKeyJJTPDHXRGRNWED-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone?
The IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone (CID 114976389) is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone.
What is the SMILES notation for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone?
The canonical SMILES for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone is CC1CCCC(C(=O)C2C3CCc4ccccc4C32)C1.
What is the InChIKey of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone?
The InChIKey is JJTPDHXRGRNWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-12-5-4-7-14(11-12)19(20)18-16-10-9-13-6-2-3-8-15(13)17(16)18/h2-3,6,8,12,14,16-18H,4-5,7,9-11H2,1H3.
What are the key properties of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone?
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone has a molecular weight of 268.40 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone is sourced from PubChem (CID 114976389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).