1-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)ethanone

C10H12O — CID 67932454

IUPAC1-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)ethanone
SMILESCC(=O)C1=CC=CC1=C(C)C
InChIInChI=1S/C10H12O/c1-7(2)9-5-4-6-10(9)8(3)11/h4-6H,1-3H3
InChIKeyBCRAQNGZMMFVDN-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.41
Rot. Bonds1

About 1-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)ethanone

1-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)ethanone (PubChem CID 67932454) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)ethanone
PubChem CID67932454
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name1-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)ethanone
SMILESCC(=O)C1=CC=CC1=C(C)C
InChIInChI=1S/C10H12O/c1-7(2)9-5-4-6-10(9)8(3)11/h4-6H,1-3H3
InChIKeyBCRAQNGZMMFVDN-UHFFFAOYSA-N
XLogP2.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)ethanone?
The IUPAC name of 1-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)ethanone (CID 67932454) is 1-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)ethanone.
What is the SMILES notation for 1-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)ethanone?
The canonical SMILES for 1-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)ethanone is CC(=O)C1=CC=CC1=C(C)C.
What is the InChIKey of 1-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)ethanone?
The InChIKey is BCRAQNGZMMFVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-7(2)9-5-4-6-10(9)8(3)11/h4-6H,1-3H3.
What are the key properties of 1-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)ethanone?
1-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)ethanone has a molecular weight of 148.20 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)ethanone is sourced from PubChem (CID 67932454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).