1-(4-ethylcyclopenta-1,3-dien-1-yl)propan-1-one

C10H14O — CID 20755925

IUPAC1-(4-ethylcyclopenta-1,3-dien-1-yl)propan-1-one
SMILESCCC(=O)C1=CC=C(CC)C1
InChIInChI=1S/C10H14O/c1-3-8-5-6-9(7-8)10(11)4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyRXHASHLFQLKPFL-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.63
Rot. Bonds3

About 1-(4-ethylcyclopenta-1,3-dien-1-yl)propan-1-one

1-(4-ethylcyclopenta-1,3-dien-1-yl)propan-1-one (PubChem CID 20755925) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(4-ethylcyclopenta-1,3-dien-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylcyclopenta-1,3-dien-1-yl)propan-1-one
PubChem CID20755925
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-(4-ethylcyclopenta-1,3-dien-1-yl)propan-1-one
SMILESCCC(=O)C1=CC=C(CC)C1
InChIInChI=1S/C10H14O/c1-3-8-5-6-9(7-8)10(11)4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyRXHASHLFQLKPFL-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 139667468
4-ethyl-6-methylcyclohepta-1,3,6-trien-1-amine
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1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
CID 143168816
1-butyl-4-ethylcyclopenta-1,3-diene
CID 139667427
CID 11740352
CID 11740352
1-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-one
CID 143214940
1-(3,6-dihydro-2H-pyran-5-yl)propan-1-one
CID 154189546
1-(1,6-dihydropyridazin-4-yl)propan-1-one
CID 135193854
1-(5-methylcyclohexen-1-yl)propan-1-one
CID 130029995
4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one
CID 23355437
1-(4,5-dihydro-1,3-thiazol-2-yl)propan-1-one
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(4-ethylcyclopenta-1,4-dien-1-yl) propanoate
CID 137231071

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclopenta-1,3-dien-1-yl)propan-1-one?
The IUPAC name of 1-(4-ethylcyclopenta-1,3-dien-1-yl)propan-1-one (CID 20755925) is 1-(4-ethylcyclopenta-1,3-dien-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-ethylcyclopenta-1,3-dien-1-yl)propan-1-one?
The canonical SMILES for 1-(4-ethylcyclopenta-1,3-dien-1-yl)propan-1-one is CCC(=O)C1=CC=C(CC)C1.
What is the InChIKey of 1-(4-ethylcyclopenta-1,3-dien-1-yl)propan-1-one?
The InChIKey is RXHASHLFQLKPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-8-5-6-9(7-8)10(11)4-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1-(4-ethylcyclopenta-1,3-dien-1-yl)propan-1-one?
1-(4-ethylcyclopenta-1,3-dien-1-yl)propan-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclopenta-1,3-dien-1-yl)propan-1-one is sourced from PubChem (CID 20755925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).