N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide

C13H22N2O — CID 106175171

IUPACN-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCCC2=CCCC2)CCCN1
InChIInChI=1S/C13H22N2O/c1-13(8-4-9-15-13)12(16)14-10-7-11-5-2-3-6-11/h5,15H,2-4,6-10H2,1H3,(H,14,16)
InChIKeyNNFGPRBJLBOKCV-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.75
Rot. Bonds4

About N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide

N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide (PubChem CID 106175171) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide
PubChem CID106175171
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCCC2=CCCC2)CCCN1
InChIInChI=1S/C13H22N2O/c1-13(8-4-9-15-13)12(16)14-10-7-11-5-2-3-6-11/h5,15H,2-4,6-10H2,1H3,(H,14,16)
InChIKeyNNFGPRBJLBOKCV-UHFFFAOYSA-N
XLogP1.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-methylpyrrolidine-2-carboxamide
CID 110012580
N-[2-(cyclopenten-1-yl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 114154046
N-[2-(cyclopenten-1-yl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 114154033
N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide
CID 126976149
1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide
CID 113330028
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970398
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108972559
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107423829
1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide
CID 115437246
N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 64680133
1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide
CID 78994819
(1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 892019

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide (CID 106175171) is N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide is CC1(C(=O)NCCC2=CCCC2)CCCN1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide?
The InChIKey is NNFGPRBJLBOKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(8-4-9-15-13)12(16)14-10-7-11-5-2-3-6-11/h5,15H,2-4,6-10H2,1H3,(H,14,16).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide?
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106175171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).