2-[(E)-hex-1-enyl]cycloprop-2-en-1-one

C9H12O — CID 10329344

IUPAC2-[(E)-hex-1-enyl]cycloprop-2-en-1-one
SMILESCCCC/C=C/c1cc1=O
InChIInChI=1S/C9H12O/c1-2-3-4-5-6-8-7-9(8)10/h5-7H,2-4H2,1H3/b6-5+
InChIKeyKRWXCKCJRFRJKM-AATRIKPKSA-N
MW136.19 g/mol
LogP2.13
Rot. Bonds4

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

2-[(E)-hex-1-enyl]cycloprop-2-en-1-one (PubChem CID 10329344) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-[(E)-hex-1-enyl]cycloprop-2-en-1-one.

Molecular Properties

Compound Name2-[(E)-hex-1-enyl]cycloprop-2-en-1-one
PubChem CID10329344
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-[(E)-hex-1-enyl]cycloprop-2-en-1-one
SMILESCCCC/C=C/c1cc1=O
InChIInChI=1S/C9H12O/c1-2-3-4-5-6-8-7-9(8)10/h5-7H,2-4H2,1H3/b6-5+
InChIKeyKRWXCKCJRFRJKM-AATRIKPKSA-N
XLogP2.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-hex-1-enyl-1H-pyrrole-2,5-diol
CID 54230941
1-[(E)-hex-1-enyl]-2-methylbenzene
CID 143283238
1,4-dibromo-2,5-bis(dodec-1-enyl)benzene
CID 67418150
4-[(E)-hex-1-enyl]-6-methylpyran-2-one
CID 11389915
3-[(E)-hex-1-enyl]cyclopent-2-en-1-one
CID 22395801
1-[3-[(E)-hex-1-enyl]phenyl]ethanone
CID 10512317
N-[2-[(E)-hex-1-enyl]phenyl]acetamide
CID 10998472
2,3-bis[(E)-docos-1-enyl]-1H-pyrrole
CID 173176733
2,3-bis[(E)-tetradec-1-enyl]-1H-pyrrole
CID 173177156
2-[(E)-hex-1-enyl]furan-3-carbaldehyde
CID 135057022
2,3-bis[(E)-octacos-1-enyl]-1H-pyrrole
CID 173176322
3-bromo-4-[(E)-hex-1-enyl]pyridine
CID 58522024

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-1-enyl]cycloprop-2-en-1-one?
The IUPAC name of 2-[(E)-hex-1-enyl]cycloprop-2-en-1-one (CID 10329344) is 2-[(E)-hex-1-enyl]cycloprop-2-en-1-one.
What is the SMILES notation for 2-[(E)-hex-1-enyl]cycloprop-2-en-1-one?
The canonical SMILES for 2-[(E)-hex-1-enyl]cycloprop-2-en-1-one is CCCC/C=C/c1cc1=O.
What is the InChIKey of 2-[(E)-hex-1-enyl]cycloprop-2-en-1-one?
The InChIKey is KRWXCKCJRFRJKM-AATRIKPKSA-N. The full InChI is InChI=1S/C9H12O/c1-2-3-4-5-6-8-7-9(8)10/h5-7H,2-4H2,1H3/b6-5+.
What are the key properties of 2-[(E)-hex-1-enyl]cycloprop-2-en-1-one?
2-[(E)-hex-1-enyl]cycloprop-2-en-1-one has a molecular weight of 136.19 g/mol, XLogP of 2.13, 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]cycloprop-2-en-1-one is sourced from PubChem (CID 10329344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).