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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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).