2-(cyclohexen-1-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone

C16H26N2O — CID 55213742

IUPAC2-(cyclohexen-1-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CC1=CCCCC1)N1CCCC1C1CCCN1
InChIInChI=1S/C16H26N2O/c19-16(12-13-6-2-1-3-7-13)18-11-5-9-15(18)14-8-4-10-17-14/h6,14-15,17H,1-5,7-12H2
InChIKeyMKXJSYMKJDNDSZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.62
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone

2-(cyclohexen-1-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 55213742) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
PubChem CID55213742
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(cyclohexen-1-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CC1=CCCCC1)N1CCCC1C1CCCN1
InChIInChI=1S/C16H26N2O/c19-16(12-13-6-2-1-3-7-13)18-11-5-9-15(18)14-8-4-10-17-14/h6,14-15,17H,1-5,7-12H2
InChIKeyMKXJSYMKJDNDSZ-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.62
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-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 62274232
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone
CID 175339553
3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 62275584
1-[(4aR,8aR)-6-[2-(4-fluorophenyl)acetyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-2-(cyclohexen-1-yl)ethanone
CID 126466227
ethyl 1-[2-(cyclohexen-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 55214318
1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256717
1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one
CID 65428876
2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 103164909
ethyl 2-pyrrolidin-2-ylpyrrolidine-1-carboxylate
CID 62273377
1-[(4aS,7R,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(cyclohexen-1-yl)ethanone
CID 97365296
1-[(4aS,7S,7aS)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(cyclohexen-1-yl)ethanone
CID 97388065
3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one
CID 62274909

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone (CID 55213742) is 2-(cyclohexen-1-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone is O=C(CC1=CCCCC1)N1CCCC1C1CCCN1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is MKXJSYMKJDNDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c19-16(12-13-6-2-1-3-7-13)18-11-5-9-15(18)14-8-4-10-17-14/h6,14-15,17H,1-5,7-12H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
2-(cyclohexen-1-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 262.40 g/mol, XLogP of 2.62, 3 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-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 55213742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).