1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one

C11H16O — CID 91232571

IUPAC1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one
SMILESO=C1C2CC3CCCCCC3C12
InChIInChI=1S/C11H16O/c12-11-9-6-7-4-2-1-3-5-8(7)10(9)11/h7-10H,1-6H2
InChIKeyNWJCFHFYDNGSTP-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.40
Rot. Bonds

About 1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one

1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one (PubChem CID 91232571) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one.

Molecular Properties

Compound Name1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one
PubChem CID91232571
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one
SMILESO=C1C2CC3CCCCCC3C12
InChIInChI=1S/C11H16O/c12-11-9-6-7-4-2-1-3-5-8(7)10(9)11/h7-10H,1-6H2
InChIKeyNWJCFHFYDNGSTP-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one with MolForge

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Related Compounds

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CID 11172060
trans-(2S,6S)-2,6-dicyclohexylcyclohexan-1-one
CID 36691423
(1S,2R,8S,9R)-tricyclo[7.2.1.02,8]dodecan-3-one
CID 15638504
(8S)-bicyclo[6.1.0]nonan-2-one
CID 90487048
(1S,3S,5R,8R)-tricyclo[6.4.0.03,5]dodecan-2-one
CID 132503865
bicyclo[13.1.0]hexadecan-2-one
CID 543951
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
3-chloro-2a,3,4,5,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydroaceanthrylene-1,2-dione
CID 129363438
2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one
CID 154595410
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
(1R,8S,10R)-10-chlorobicyclo[6.2.0]decan-9-one
CID 134986855
10-chlorobicyclo[6.2.0]decan-9-one
CID 566640

Frequently Asked Questions

What is the IUPAC name of 1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one?
The IUPAC name of 1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one (CID 91232571) is 1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one.
What is the SMILES notation for 1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one?
The canonical SMILES for 1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one is O=C1C2CC3CCCCCC3C12.
What is the InChIKey of 1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one?
The InChIKey is NWJCFHFYDNGSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c12-11-9-6-7-4-2-1-3-5-8(7)10(9)11/h7-10H,1-6H2.
What are the key properties of 1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one?
1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one has a molecular weight of 164.25 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one is sourced from PubChem (CID 91232571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).