(1aR,3aS,7R,7aS,7bS)-1,1,3a,7-tetramethyl-1a,3,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalen-2-one

C15H24O — CID 10987804

IUPAC(1aR,3aS,7R,7aS,7bS)-1,1,3a,7-tetramethyl-1a,3,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalen-2-one
SMILESC[C@@H]1CCC[C@@]2(C)CC(=O)[C@@H]3[C@H]([C@H]12)C3(C)C
InChIInChI=1S/C15H24O/c1-9-6-5-7-15(4)8-10(16)12-13(11(9)15)14(12,2)3/h9,11-13H,5-8H2,1-4H3/t9-,11+,12-,13+,15+/m1/s1
InChIKeyIEXLPDRMTLMGHY-HJPYRHJCSA-N
MW220.36 g/mol
LogP3.67
Rot. Bonds

About (1aR,3aS,7R,7aS,7bS)-1,1,3a,7-tetramethyl-1a,3,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalen-2-one

(1aR,3aS,7R,7aS,7bS)-1,1,3a,7-tetramethyl-1a,3,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalen-2-one (PubChem CID 10987804) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1aR,3aS,7R,7aS,7bS)-1,1,3a,7-tetramethyl-1a,3,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalen-2-one.

Molecular Properties

Compound Name(1aR,3aS,7R,7aS,7bS)-1,1,3a,7-tetramethyl-1a,3,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalen-2-one
PubChem CID10987804
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1aR,3aS,7R,7aS,7bS)-1,1,3a,7-tetramethyl-1a,3,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalen-2-one
SMILESC[C@@H]1CCC[C@@]2(C)CC(=O)[C@@H]3[C@H]([C@H]12)C3(C)C
InChIInChI=1S/C15H24O/c1-9-6-5-7-15(4)8-10(16)12-13(11(9)15)14(12,2)3/h9,11-13H,5-8H2,1-4H3/t9-,11+,12-,13+,15+/m1/s1
InChIKeyIEXLPDRMTLMGHY-HJPYRHJCSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1aR,3aS,7R,7aS,7bS)-1,1,3a,7-tetramethyl-1a,3,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalen-2-one 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 (1aR,3aS,7R,7aS,7bS)-1,1,3a,7-tetramethyl-1a,3,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalen-2-one?
The IUPAC name of (1aR,3aS,7R,7aS,7bS)-1,1,3a,7-tetramethyl-1a,3,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalen-2-one (CID 10987804) is (1aR,3aS,7R,7aS,7bS)-1,1,3a,7-tetramethyl-1a,3,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalen-2-one.
What is the SMILES notation for (1aR,3aS,7R,7aS,7bS)-1,1,3a,7-tetramethyl-1a,3,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalen-2-one?
The canonical SMILES for (1aR,3aS,7R,7aS,7bS)-1,1,3a,7-tetramethyl-1a,3,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalen-2-one is C[C@@H]1CCC[C@@]2(C)CC(=O)[C@@H]3[C@H]([C@H]12)C3(C)C.
What is the InChIKey of (1aR,3aS,7R,7aS,7bS)-1,1,3a,7-tetramethyl-1a,3,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalen-2-one?
The InChIKey is IEXLPDRMTLMGHY-HJPYRHJCSA-N. The full InChI is InChI=1S/C15H24O/c1-9-6-5-7-15(4)8-10(16)12-13(11(9)15)14(12,2)3/h9,11-13H,5-8H2,1-4H3/t9-,11+,12-,13+,15+/m1/s1.
What are the key properties of (1aR,3aS,7R,7aS,7bS)-1,1,3a,7-tetramethyl-1a,3,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalen-2-one?
(1aR,3aS,7R,7aS,7bS)-1,1,3a,7-tetramethyl-1a,3,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalen-2-one has a molecular weight of 220.36 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,3aS,7R,7aS,7bS)-1,1,3a,7-tetramethyl-1a,3,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalen-2-one is sourced from PubChem (CID 10987804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).