2-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)ethenone

C10H12O — CID 175138937

IUPAC2-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)ethenone
SMILESCC(C)C1=C(C=C=O)CC=C1
InChIInChI=1S/C10H12O/c1-8(2)10-5-3-4-9(10)6-7-11/h3,5-6,8H,4H2,1-2H3
InChIKeyPOMZYRSCVMASBL-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.29
Rot. Bonds2

About 2-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)ethenone

2-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)ethenone (PubChem CID 175138937) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)ethenone.

Molecular Properties

Compound Name2-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)ethenone
PubChem CID175138937
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)ethenone
SMILESCC(C)C1=C(C=C=O)CC=C1
InChIInChI=1S/C10H12O/c1-8(2)10-5-3-4-9(10)6-7-11/h3,5-6,8H,4H2,1-2H3
InChIKeyPOMZYRSCVMASBL-UHFFFAOYSA-N
XLogP2.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)ethenone?
The IUPAC name of 2-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)ethenone (CID 175138937) is 2-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)ethenone.
What is the SMILES notation for 2-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)ethenone?
The canonical SMILES for 2-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)ethenone is CC(C)C1=C(C=C=O)CC=C1.
What is the InChIKey of 2-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)ethenone?
The InChIKey is POMZYRSCVMASBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-8(2)10-5-3-4-9(10)6-7-11/h3,5-6,8H,4H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)ethenone?
2-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)ethenone has a molecular weight of 148.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)ethenone is sourced from PubChem (CID 175138937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).