2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide

C11H18N2O — CID 116644086

IUPAC2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide
SMILESCC#CCCNC(=O)C1CCNC1C
InChIInChI=1S/C11H18N2O/c1-3-4-5-7-13-11(14)10-6-8-12-9(10)2/h9-10,12H,5-8H2,1-2H3,(H,13,14)
InChIKeyKDBACHXLIHONHZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.51
Rot. Bonds3

About 2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide

2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide (PubChem CID 116644086) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide
PubChem CID116644086
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide
SMILESCC#CCCNC(=O)C1CCNC1C
InChIInChI=1S/C11H18N2O/c1-3-4-5-7-13-11(14)10-6-8-12-9(10)2/h9-10,12H,5-8H2,1-2H3,(H,13,14)
InChIKeyKDBACHXLIHONHZ-UHFFFAOYSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-pent-3-ynylpyrrolidine-3-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

N-but-2-ynyl-2-methylpiperidine-3-carboxamide
CID 127003919
N-[2-(dimethylamino)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79383065
(2R,3R)-N-(2-hydroxyethyl)-2-methylpiperidine-3-carboxamide
CID 130891391
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79388783
N-pent-3-ynylpyrrolidine-3-carboxamide
CID 116644143
ethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 79389205
2-methyl-N-(2-methylprop-2-enyl)pyrrolidine-3-carboxamide
CID 114617185
N-[2-(ethylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388729
N-pent-3-ynylcyclohexanecarboxamide
CID 115977262
N,2-dimethylpyrrolidine-3-carboxamide
CID 79382983
2-methyl-N-prop-2-ynylpiperidine-3-carboxamide
CID 131048074
N-pent-3-ynylpiperidine-3-carboxamide
CID 116644116

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide (CID 116644086) is 2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide is CC#CCCNC(=O)C1CCNC1C.
What is the InChIKey of 2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide?
The InChIKey is KDBACHXLIHONHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-5-7-13-11(14)10-6-8-12-9(10)2/h9-10,12H,5-8H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide?
2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide is sourced from PubChem (CID 116644086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).