2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone

C15H25NO2 — CID 107406333

IUPAC2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
SMILESCC1(O)CCCN(C(=O)CC2=CCCCC2)CC1
InChIInChI=1S/C15H25NO2/c1-15(18)8-5-10-16(11-9-15)14(17)12-13-6-3-2-4-7-13/h6,18H,2-5,7-12H2,1H3
InChIKeyRTIHFQNZCRKOCL-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.64
Rot. Bonds2

About 2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone

2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone (PubChem CID 107406333) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
PubChem CID107406333
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
SMILESCC1(O)CCCN(C(=O)CC2=CCCCC2)CC1
InChIInChI=1S/C15H25NO2/c1-15(18)8-5-10-16(11-9-15)14(17)12-13-6-3-2-4-7-13/h6,18H,2-5,7-12H2,1H3
InChIKeyRTIHFQNZCRKOCL-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707162
2-(cyclohexen-1-yl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727391
2-(cyclohexen-1-yl)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 84592419
6-[2-(cyclohexen-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175104
1-[2-(cyclohexen-1-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258940
4-[2-(4-hydroxy-4-methylazepan-1-yl)-2-oxoethyl]benzenecarbothioamide
CID 107404602
2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]ethanone
CID 129483951
(5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 95773358
1-[2-(cyclohexen-1-yl)acetyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155879702
2-(cyclohexen-1-yl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 118738872
2-tert-butylsulfanyl-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406310
1-benzyl-8-[2-(cyclohexen-1-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
CID 26344303

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone (CID 107406333) is 2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone is CC1(O)CCCN(C(=O)CC2=CCCCC2)CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone?
The InChIKey is RTIHFQNZCRKOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(18)8-5-10-16(11-9-15)14(17)12-13-6-3-2-4-7-13/h6,18H,2-5,7-12H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone?
2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone has a molecular weight of 251.37 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone is sourced from PubChem (CID 107406333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).