2-cyclohex-3-en-1-yl-1-(2-methylpyrrolidin-3-yl)ethanone

C13H21NO — CID 164655819

IUPAC2-cyclohex-3-en-1-yl-1-(2-methylpyrrolidin-3-yl)ethanone
SMILESCC1NCCC1C(=O)CC1CC=CCC1
InChIInChI=1S/C13H21NO/c1-10-12(7-8-14-10)13(15)9-11-5-3-2-4-6-11/h2-3,10-12,14H,4-9H2,1H3
InChIKeyXFFMXBGHTLSSFQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.30
Rot. Bonds3

About 2-cyclohex-3-en-1-yl-1-(2-methylpyrrolidin-3-yl)ethanone

2-cyclohex-3-en-1-yl-1-(2-methylpyrrolidin-3-yl)ethanone (PubChem CID 164655819) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-1-(2-methylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-1-(2-methylpyrrolidin-3-yl)ethanone
PubChem CID164655819
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-cyclohex-3-en-1-yl-1-(2-methylpyrrolidin-3-yl)ethanone
SMILESCC1NCCC1C(=O)CC1CC=CCC1
InChIInChI=1S/C13H21NO/c1-10-12(7-8-14-10)13(15)9-11-5-3-2-4-6-11/h2-3,10-12,14H,4-9H2,1H3
InChIKeyXFFMXBGHTLSSFQ-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.30
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

methyl 2-cyclohex-3-en-1-ylacetate
CID 12739784
2-cyclohex-3-en-1-yl-1-thiomorpholin-2-ylethanone
CID 164653805
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
1-cyclohex-3-en-1-ylpent-4-en-2-one
CID 12734511
1-cyclohex-3-en-1-ylbut-3-en-2-one
CID 130029424
1-(2-methylpyrrolidin-3-yl)-2-propan-2-yloxyethanone
CID 116592045
2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone
CID 116592173
3-methyl-1-(2-methylpyrrolidin-3-yl)hexan-1-one
CID 116592103
2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone
CID 162401384
2-(cyclohex-3-en-1-ylmethyl)prop-2-enal
CID 23066946
1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116592024
N,2-dimethylpyrrolidine-3-carboxamide
CID 79382983

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-1-(2-methylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-cyclohex-3-en-1-yl-1-(2-methylpyrrolidin-3-yl)ethanone (CID 164655819) is 2-cyclohex-3-en-1-yl-1-(2-methylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-1-(2-methylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-cyclohex-3-en-1-yl-1-(2-methylpyrrolidin-3-yl)ethanone is CC1NCCC1C(=O)CC1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-1-(2-methylpyrrolidin-3-yl)ethanone?
The InChIKey is XFFMXBGHTLSSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-12(7-8-14-10)13(15)9-11-5-3-2-4-6-11/h2-3,10-12,14H,4-9H2,1H3.
What are the key properties of 2-cyclohex-3-en-1-yl-1-(2-methylpyrrolidin-3-yl)ethanone?
2-cyclohex-3-en-1-yl-1-(2-methylpyrrolidin-3-yl)ethanone has a molecular weight of 207.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-1-(2-methylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 164655819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).