1-propan-2-yl-4,5,6,7,8,9,10,10a-octahydro-1H-cyclopenta[9]annulen-2-one

C15H24O — CID 18402396

IUPAC1-propan-2-yl-4,5,6,7,8,9,10,10a-octahydro-1H-cyclopenta[9]annulen-2-one
SMILESCC(C)C1C(=O)C=C2CCCCCCCC21
InChIInChI=1S/C15H24O/c1-11(2)15-13-9-7-5-3-4-6-8-12(13)10-14(15)16/h10-11,13,15H,3-9H2,1-2H3
InChIKeyWZFFSGRNPSCNPY-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.13
Rot. Bonds1

About 1-propan-2-yl-4,5,6,7,8,9,10,10a-octahydro-1H-cyclopenta[9]annulen-2-one

1-propan-2-yl-4,5,6,7,8,9,10,10a-octahydro-1H-cyclopenta[9]annulen-2-one (PubChem CID 18402396) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-propan-2-yl-4,5,6,7,8,9,10,10a-octahydro-1H-cyclopenta[9]annulen-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4,5,6,7,8,9,10,10a-octahydro-1H-cyclopenta[9]annulen-2-one
PubChem CID18402396
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-propan-2-yl-4,5,6,7,8,9,10,10a-octahydro-1H-cyclopenta[9]annulen-2-one
SMILESCC(C)C1C(=O)C=C2CCCCCCCC21
InChIInChI=1S/C15H24O/c1-11(2)15-13-9-7-5-3-4-6-8-12(13)10-14(15)16/h10-11,13,15H,3-9H2,1-2H3
InChIKeyWZFFSGRNPSCNPY-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4,5,6,7,8,9,10,10a-octahydro-1H-cyclopenta[9]annulen-2-one?
The IUPAC name of 1-propan-2-yl-4,5,6,7,8,9,10,10a-octahydro-1H-cyclopenta[9]annulen-2-one (CID 18402396) is 1-propan-2-yl-4,5,6,7,8,9,10,10a-octahydro-1H-cyclopenta[9]annulen-2-one.
What is the SMILES notation for 1-propan-2-yl-4,5,6,7,8,9,10,10a-octahydro-1H-cyclopenta[9]annulen-2-one?
The canonical SMILES for 1-propan-2-yl-4,5,6,7,8,9,10,10a-octahydro-1H-cyclopenta[9]annulen-2-one is CC(C)C1C(=O)C=C2CCCCCCCC21.
What is the InChIKey of 1-propan-2-yl-4,5,6,7,8,9,10,10a-octahydro-1H-cyclopenta[9]annulen-2-one?
The InChIKey is WZFFSGRNPSCNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)15-13-9-7-5-3-4-6-8-12(13)10-14(15)16/h10-11,13,15H,3-9H2,1-2H3.
What are the key properties of 1-propan-2-yl-4,5,6,7,8,9,10,10a-octahydro-1H-cyclopenta[9]annulen-2-one?
1-propan-2-yl-4,5,6,7,8,9,10,10a-octahydro-1H-cyclopenta[9]annulen-2-one has a molecular weight of 220.36 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4,5,6,7,8,9,10,10a-octahydro-1H-cyclopenta[9]annulen-2-one is sourced from PubChem (CID 18402396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).