1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one

C10H14O — CID 12861283

IUPAC1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1=CC=CC1
InChIInChI=1S/C10H14O/c1-10(2,3)9(11)8-6-4-5-7-8/h4-6H,7H2,1-3H3
InChIKeyXUFYZPXSBQSMPN-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.49
Rot. Bonds1

About 1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one

1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one (PubChem CID 12861283) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one
PubChem CID12861283
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1=CC=CC1
InChIInChI=1S/C10H14O/c1-10(2,3)9(11)8-6-4-5-7-8/h4-6H,7H2,1-3H3
InChIKeyXUFYZPXSBQSMPN-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one (CID 12861283) is 1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1=CC=CC1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one?
The InChIKey is XUFYZPXSBQSMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-10(2,3)9(11)8-6-4-5-7-8/h4-6H,7H2,1-3H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one?
1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one is sourced from PubChem (CID 12861283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).