cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone

C19H20O — CID 82646222

IUPACcyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone
SMILESO=C(c1ccc2c3c(cccc13)CC2)C1CCCCC1
InChIInChI=1S/C19H20O/c20-19(15-5-2-1-3-6-15)17-12-11-14-10-9-13-7-4-8-16(17)18(13)14/h4,7-8,11-12,15H,1-3,5-6,9-10H2
InChIKeyVQOJHCDYMQVJQN-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.70
Rot. Bonds2

About cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone

cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone (PubChem CID 82646222) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone
PubChem CID82646222
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Namecyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone
SMILESO=C(c1ccc2c3c(cccc13)CC2)C1CCCCC1
InChIInChI=1S/C19H20O/c20-19(15-5-2-1-3-6-15)17-12-11-14-10-9-13-7-4-8-16(17)18(13)14/h4,7-8,11-12,15H,1-3,5-6,9-10H2
InChIKeyVQOJHCDYMQVJQN-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone
CID 56755375
(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide
CID 25302096
1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(1,3-dihydroxypropan-2-yl)piperidin-3-yl]methanone
CID 95551915
1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 95721574
1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 42392822
1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone
CID 114939130
4-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 25448612
1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]methanone
CID 25274443
N-cyclopropyl-2-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]acetamide
CID 95552342
[(3S)-1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 42453776
1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone
CID 25279419
1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
CID 42516122

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone?
The IUPAC name of cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone (CID 82646222) is cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone.
What is the SMILES notation for cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone?
The canonical SMILES for cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone is O=C(c1ccc2c3c(cccc13)CC2)C1CCCCC1.
What is the InChIKey of cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone?
The InChIKey is VQOJHCDYMQVJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c20-19(15-5-2-1-3-6-15)17-12-11-14-10-9-13-7-4-8-16(17)18(13)14/h4,7-8,11-12,15H,1-3,5-6,9-10H2.
What are the key properties of cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone?
cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone is sourced from PubChem (CID 82646222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).