(2S)-N-(4-methylpent-2-enyl)pyrrolidine-2-carboxamide

C11H20N2O — CID 91611145

IUPAC(2S)-N-(4-methylpent-2-enyl)pyrrolidine-2-carboxamide
SMILESCC(C)C=CCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H20N2O/c1-9(2)5-3-8-13-11(14)10-6-4-7-12-10/h3,5,9-10,12H,4,6-8H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyUPIMFJSSPABBQV-JTQLQIEISA-N
MW196.29 g/mol
LogP1.07
Rot. Bonds4

About (2S)-N-(4-methylpent-2-enyl)pyrrolidine-2-carboxamide

(2S)-N-(4-methylpent-2-enyl)pyrrolidine-2-carboxamide (PubChem CID 91611145) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2S)-N-(4-methylpent-2-enyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methylpent-2-enyl)pyrrolidine-2-carboxamide
PubChem CID91611145
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2S)-N-(4-methylpent-2-enyl)pyrrolidine-2-carboxamide
SMILESCC(C)C=CCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H20N2O/c1-9(2)5-3-8-13-11(14)10-6-4-7-12-10/h3,5,9-10,12H,4,6-8H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyUPIMFJSSPABBQV-JTQLQIEISA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-N-(4-methylpent-2-enyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
N-(2,3-dimethylbutyl)pyrrolidine-2-carboxamide
CID 64597278
(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
CID 61249248
N-(2-cyclopropylpropyl)pyrrolidine-2-carboxamide
CID 115591240
N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115976802
N-propylpyrrolidine-2-carboxamide
CID 4984185
N-(fluoromethyl)pyrrolidine-2-carboxamide
CID 123273673
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
(2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide
CID 148575646
(2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 103796173
N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
CID 61275078
N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methylpent-2-enyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-methylpent-2-enyl)pyrrolidine-2-carboxamide (CID 91611145) is (2S)-N-(4-methylpent-2-enyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-methylpent-2-enyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-methylpent-2-enyl)pyrrolidine-2-carboxamide is CC(C)C=CCNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(4-methylpent-2-enyl)pyrrolidine-2-carboxamide?
The InChIKey is UPIMFJSSPABBQV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)5-3-8-13-11(14)10-6-4-7-12-10/h3,5,9-10,12H,4,6-8H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-methylpent-2-enyl)pyrrolidine-2-carboxamide?
(2S)-N-(4-methylpent-2-enyl)pyrrolidine-2-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methylpent-2-enyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 91611145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).