1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone

C10H16O — CID 130036272

IUPAC1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone
SMILESCCC/C=C/C1CC1C(C)=O
InChIInChI=1S/C10H16O/c1-3-4-5-6-9-7-10(9)8(2)11/h5-6,9-10H,3-4,7H2,1-2H3/b6-5+
InChIKeyRSONIAUAOYLFIY-AATRIKPKSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds4

About 1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone

1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone (PubChem CID 130036272) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone
PubChem CID130036272
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone
SMILESCCC/C=C/C1CC1C(C)=O
InChIInChI=1S/C10H16O/c1-3-4-5-6-9-7-10(9)8(2)11/h5-6,9-10H,3-4,7H2,1-2H3/b6-5+
InChIKeyRSONIAUAOYLFIY-AATRIKPKSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid
CID 143897565
2-non-1-enylcyclopropane-1-carboxylic acid
CID 57032997
1-ethyl-2-pent-1-enylcyclopropane
CID 123376012
1-ethenyl-2-pent-1-enylcyclopropane
CID 123214282
1,4-dimethyl-2-pent-1-enylcyclopentane
CID 123748018
4-pent-1-enylcyclohexan-1-ol
CID 54384714
trans-(1S,2S)-2-[(Z)-hept-1-enyl]-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 70831485
5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene
CID 18522509
1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one
CID 57076545
acetic acid;(E)-hex-2-ene
CID 174958018
(1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 51693043
2-(3-butoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylic acid
CID 54406379

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone?
The IUPAC name of 1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone (CID 130036272) is 1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone is CCC/C=C/C1CC1C(C)=O.
What is the InChIKey of 1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone?
The InChIKey is RSONIAUAOYLFIY-AATRIKPKSA-N. The full InChI is InChI=1S/C10H16O/c1-3-4-5-6-9-7-10(9)8(2)11/h5-6,9-10H,3-4,7H2,1-2H3/b6-5+.
What are the key properties of 1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone?
1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone has a molecular weight of 152.24 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone is sourced from PubChem (CID 130036272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).