2-[(E)-hex-1-enyl]cyclopropan-1-one

C9H14O — CID 131236727

IUPAC2-[(E)-hex-1-enyl]cyclopropan-1-one
SMILESCCCC/C=C/C1CC1=O
InChIInChI=1S/C9H14O/c1-2-3-4-5-6-8-7-9(8)10/h5-6,8H,2-4,7H2,1H3/b6-5+
InChIKeyXGEIYBWURPQLQO-AATRIKPKSA-N
MW138.21 g/mol
LogP2.32
Rot. Bonds4

About 2-[(E)-hex-1-enyl]cyclopropan-1-one

2-[(E)-hex-1-enyl]cyclopropan-1-one (PubChem CID 131236727) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-[(E)-hex-1-enyl]cyclopropan-1-one.

Molecular Properties

Compound Name2-[(E)-hex-1-enyl]cyclopropan-1-one
PubChem CID131236727
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-[(E)-hex-1-enyl]cyclopropan-1-one
SMILESCCCC/C=C/C1CC1=O
InChIInChI=1S/C9H14O/c1-2-3-4-5-6-8-7-9(8)10/h5-6,8H,2-4,7H2,1H3/b6-5+
InChIKeyXGEIYBWURPQLQO-AATRIKPKSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-dodec-1-enyl]oxolane-2,5-dione;3-[(E)-undec-1-enyl]oxolane-2,5-dione
CID 87423856
(3S)-3-[(E)-octadec-1-enyl]oxolane-2,5-dione
CID 98045012
3-oct-1-enyloxolane-2,5-dione
CID 24442
3-undec-1-enylpyrrolidine-2,5-dione
CID 70619717
3-[(E)-hexadec-1-enyl]pyrrolidine-2,5-dione
CID 23513051
sodium;3-dodec-1-enyloxolane-2,5-dione;hydride
CID 174902776
4-docos-1-enyl-5-sulfanylideneoxolan-2-one
CID 139774463
1-ethenyl-2-[(Z)-hex-1-enyl]cyclopropane
CID 5367331
cis-(2S,3R)-2-methyl-3-[(E)-oct-1-enyl]cyclopentan-1-one
CID 11435734
[(E)-hex-1-enyl]cyclopropane
CID 5352188
3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione
CID 174675000
3-icos-1-enyloxane-2,6-dione
CID 54346397

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-1-enyl]cyclopropan-1-one?
The IUPAC name of 2-[(E)-hex-1-enyl]cyclopropan-1-one (CID 131236727) is 2-[(E)-hex-1-enyl]cyclopropan-1-one.
What is the SMILES notation for 2-[(E)-hex-1-enyl]cyclopropan-1-one?
The canonical SMILES for 2-[(E)-hex-1-enyl]cyclopropan-1-one is CCCC/C=C/C1CC1=O.
What is the InChIKey of 2-[(E)-hex-1-enyl]cyclopropan-1-one?
The InChIKey is XGEIYBWURPQLQO-AATRIKPKSA-N. The full InChI is InChI=1S/C9H14O/c1-2-3-4-5-6-8-7-9(8)10/h5-6,8H,2-4,7H2,1H3/b6-5+.
What are the key properties of 2-[(E)-hex-1-enyl]cyclopropan-1-one?
2-[(E)-hex-1-enyl]cyclopropan-1-one has a molecular weight of 138.21 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-1-enyl]cyclopropan-1-one is sourced from PubChem (CID 131236727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).