(3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one

C17H20O — CID 134966270

IUPAC(3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one
SMILESC=C[C@@H](CC(=O)C1=CCCCC1)c1ccccc1
InChIInChI=1S/C17H20O/c1-2-14(15-9-5-3-6-10-15)13-17(18)16-11-7-4-8-12-16/h2-3,5-6,9-11,14H,1,4,7-8,12-13H2/t14-/m0/s1
InChIKeyNJPQBNNJEUDNPR-AWEZNQCLSA-N
MW240.35 g/mol
LogP4.42
Rot. Bonds5

About (3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one

(3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one (PubChem CID 134966270) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is (3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one.

Molecular Properties

Compound Name(3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one
PubChem CID134966270
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name(3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one
SMILESC=C[C@@H](CC(=O)C1=CCCCC1)c1ccccc1
InChIInChI=1S/C17H20O/c1-2-14(15-9-5-3-6-10-15)13-17(18)16-11-7-4-8-12-16/h2-3,5-6,9-11,14H,1,4,7-8,12-13H2/t14-/m0/s1
InChIKeyNJPQBNNJEUDNPR-AWEZNQCLSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.42
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

(3S)-3-phenylpent-4-enoic acid
CID 92981953
1-(cyclohepten-1-yl)-2-phenylsulfanylethanone
CID 106651892
(1Z)-1-(cyclohexen-1-yl)-1-methylselanyl-4-phenylhepta-1,6-dien-3-one
CID 11222107
1-(cyclohexen-1-yl)-3-methylpentan-1-one
CID 114874040
methyl (3S)-3-phenylpent-4-enoate
CID 10511884
1-(cyclohexen-1-yl)hex-5-en-1-one
CID 15531059
2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone
CID 106655576
1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone
CID 62077966
1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone
CID 106655515
(3S)-3-(cyclohexen-1-yl)-1-trimethylsilylpent-4-en-1-one
CID 15936825
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
1-(3-phenylpent-4-enoylamino)cyclohexane-1-carboxylic acid
CID 120512704

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one?
The IUPAC name of (3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one (CID 134966270) is (3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one.
What is the SMILES notation for (3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one?
The canonical SMILES for (3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one is C=C[C@@H](CC(=O)C1=CCCCC1)c1ccccc1.
What is the InChIKey of (3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one?
The InChIKey is NJPQBNNJEUDNPR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20O/c1-2-14(15-9-5-3-6-10-15)13-17(18)16-11-7-4-8-12-16/h2-3,5-6,9-11,14H,1,4,7-8,12-13H2/t14-/m0/s1.
What are the key properties of (3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one?
(3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one has a molecular weight of 240.35 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclohexen-1-yl)-3-phenylpent-4-en-1-one is sourced from PubChem (CID 134966270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).