1-(2-phenylcyclopropyl)hex-5-en-1-one

C15H18O — CID 114974761

IUPAC1-(2-phenylcyclopropyl)hex-5-en-1-one
SMILESC=CCCCC(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H18O/c1-2-3-5-10-15(16)14-11-13(14)12-8-6-4-7-9-12/h2,4,6-9,13-14H,1,3,5,10-11H2
InChIKeyVDEYFHXNEHTTHL-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.72
Rot. Bonds6

About 1-(2-phenylcyclopropyl)hex-5-en-1-one

1-(2-phenylcyclopropyl)hex-5-en-1-one (PubChem CID 114974761) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(2-phenylcyclopropyl)hex-5-en-1-one.

Molecular Properties

Compound Name1-(2-phenylcyclopropyl)hex-5-en-1-one
PubChem CID114974761
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-(2-phenylcyclopropyl)hex-5-en-1-one
SMILESC=CCCCC(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H18O/c1-2-3-5-10-15(16)14-11-13(14)12-8-6-4-7-9-12/h2,4,6-9,13-14H,1,3,5,10-11H2
InChIKeyVDEYFHXNEHTTHL-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.72
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

4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one
CID 114974523
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one
CID 116561052
3-methylsulfonyl-1-(2-phenylcyclopropyl)propan-1-one
CID 114969559
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanenitrile
CID 86694682
2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
CID 159213870
3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one
CID 10708009
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
methyl 3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanoate
CID 101155586
6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one
CID 116574742
2-(furan-2-yl)-1-(2-phenylcyclopropyl)ethanone
CID 115795569

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylcyclopropyl)hex-5-en-1-one?
The IUPAC name of 1-(2-phenylcyclopropyl)hex-5-en-1-one (CID 114974761) is 1-(2-phenylcyclopropyl)hex-5-en-1-one.
What is the SMILES notation for 1-(2-phenylcyclopropyl)hex-5-en-1-one?
The canonical SMILES for 1-(2-phenylcyclopropyl)hex-5-en-1-one is C=CCCCC(=O)C1CC1c1ccccc1.
What is the InChIKey of 1-(2-phenylcyclopropyl)hex-5-en-1-one?
The InChIKey is VDEYFHXNEHTTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-2-3-5-10-15(16)14-11-13(14)12-8-6-4-7-9-12/h2,4,6-9,13-14H,1,3,5,10-11H2.
What are the key properties of 1-(2-phenylcyclopropyl)hex-5-en-1-one?
1-(2-phenylcyclopropyl)hex-5-en-1-one has a molecular weight of 214.31 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylcyclopropyl)hex-5-en-1-one is sourced from PubChem (CID 114974761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).