2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one

C19H20O — CID 86212741

IUPAC2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one
SMILESC=CCC1(c2ccc3ccccc3c2)CCCCC1=O
InChIInChI=1S/C19H20O/c1-2-12-19(13-6-5-9-18(19)20)17-11-10-15-7-3-4-8-16(15)14-17/h2-4,7-8,10-11,14H,1,5-6,9,12-13H2
InChIKeyZWLLQXASPATHSA-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.80
Rot. Bonds3

About 2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one

2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one (PubChem CID 86212741) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one.

Molecular Properties

Compound Name2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one
PubChem CID86212741
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one
SMILESC=CCC1(c2ccc3ccccc3c2)CCCCC1=O
InChIInChI=1S/C19H20O/c1-2-12-19(13-6-5-9-18(19)20)17-11-10-15-7-3-4-8-16(15)14-17/h2-4,7-8,10-11,14H,1,5-6,9,12-13H2
InChIKeyZWLLQXASPATHSA-UHFFFAOYSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.80
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

(2S)-2-(3-methoxyphenyl)-2-prop-2-enylcyclohexan-1-one
CID 135043755
2-[3,4-bis(methylideneamino)phenyl]-2-prop-2-enylcyclohexan-1-one
CID 177061566
2-(4-nitrophenyl)-2-prop-2-enylcyclohexan-1-one
CID 132535562
(2S)-2-benzyl-2-prop-2-enylcyclohexan-1-one
CID 11183780
(2S)-2-hydroxy-2-naphthalen-2-ylcyclopentan-1-one
CID 102347696
2-[(1R)-1-(1,3-benzodioxol-5-yl)-2-oxocyclohexyl]acetaldehyde
CID 102503354
2-(bromomethyl)-2-phenylcyclotridecan-1-one
CID 132609011
2-benzoyl-2-prop-2-enylcyclohexan-1-one
CID 11736648
N-(1-prop-2-enylcyclohexyl)naphthalen-2-amine;hydrochloride
CID 175653158
3-methyl-3-naphthalen-2-ylcyclopentan-1-one
CID 116538503
2-(4-chloro-3-methylphenyl)-2-ethylcyclohexan-1-one
CID 126503281
11a-prop-2-enyl-6,7,8,9,10,11-hexahydrocycloocta[b]indole
CID 102406838

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one?
The IUPAC name of 2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one (CID 86212741) is 2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one.
What is the SMILES notation for 2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one?
The canonical SMILES for 2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one is C=CCC1(c2ccc3ccccc3c2)CCCCC1=O.
What is the InChIKey of 2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one?
The InChIKey is ZWLLQXASPATHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-2-12-19(13-6-5-9-18(19)20)17-11-10-15-7-3-4-8-16(15)14-17/h2-4,7-8,10-11,14H,1,5-6,9,12-13H2.
What are the key properties of 2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one?
2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one has a molecular weight of 264.37 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one is sourced from PubChem (CID 86212741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).