2-(cyclohexen-1-yl)-1-pyrrolidin-1-ylethanone

C12H19NO — CID 11333014

IUPAC2-(cyclohexen-1-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1=CCCCC1)N1CCCC1
InChIInChI=1S/C12H19NO/c14-12(13-8-4-5-9-13)10-11-6-2-1-3-7-11/h6H,1-5,7-10H2
InChIKeyOREYAJOULMIOFN-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.50
Rot. Bonds2

About 2-(cyclohexen-1-yl)-1-pyrrolidin-1-ylethanone

2-(cyclohexen-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 11333014) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID11333014
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(cyclohexen-1-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1=CCCCC1)N1CCCC1
InChIInChI=1S/C12H19NO/c14-12(13-8-4-5-9-13)10-11-6-2-1-3-7-11/h6H,1-5,7-10H2
InChIKeyOREYAJOULMIOFN-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.50
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

Pyrrolidine, 1-(1-oxo-9-octadecenyl)-, (Z)-
CID 5370392
Pyrrolidine Linoleamide
CID 46934879
N-octadec-9-enoylpyrrolidine
CID 574882
2-Fluoro-1-(pyrrolidin-1-yl)undec-10-en-1-one
CID 135391117
2,5-Pyrrolidinedione, 1-[2-(1-cyclohexen-1-yl)ethyl]-
CID 2245693
1-(Pyrrolidin-1-yl)octadeca-9,12-dien-1-one
CID 71588898
1-(1-Oxo-9,12,15-octadecatrienyl)pyrrolidine
CID 574893
N-11-Octadecenoylpyrrolidine
CID 5370397
1-(Pyrrolidin-1-yl)undec-10-en-1-one
CID 12180079
Cyclohex-1-en-1-yl(pyrrolidin-1-yl)methanone
CID 13724310
18-Fluoro-octadec-9-enoic acid, pyrrolidide
CID 91705105
20-Fluoro-eicos-11-enoic acid, pyrrolidide
CID 91705116

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-pyrrolidin-1-ylethanone (CID 11333014) is 2-(cyclohexen-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-pyrrolidin-1-ylethanone is O=C(CC1=CCCCC1)N1CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is OREYAJOULMIOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-12(13-8-4-5-9-13)10-11-6-2-1-3-7-11/h6H,1-5,7-10H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-pyrrolidin-1-ylethanone?
2-(cyclohexen-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 193.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 11333014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).