N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide

C12H20N2O — CID 106230636

IUPACN-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide
SMILESC#CC(CCC)NC(=O)C1NCCC1C
InChIInChI=1S/C12H20N2O/c1-4-6-10(5-2)14-12(15)11-9(3)7-8-13-11/h2,9-11,13H,4,6-8H2,1,3H3,(H,14,15)
InChIKeyRQFVIGRCVZHZPJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.90
Rot. Bonds4

About N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide

N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide (PubChem CID 106230636) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide
PubChem CID106230636
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide
SMILESC#CC(CCC)NC(=O)C1NCCC1C
InChIInChI=1S/C12H20N2O/c1-4-6-10(5-2)14-12(15)11-9(3)7-8-13-11/h2,9-11,13H,4,6-8H2,1,3H3,(H,14,15)
InChIKeyRQFVIGRCVZHZPJ-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hex-1-yn-3-yl-3-methylpyrrolidine-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

N-hex-1-yn-3-yl-4-methylpiperidine-2-carboxamide
CID 106230513
N-hex-1-yn-3-ylcyclobutanecarboxamide
CID 103528729
N-hex-1-yn-3-ylpiperidine-3-carboxamide
CID 106230711
N-hex-1-yn-3-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 106230709
N-butan-2-yl-3-methylpyrrolidine-2-carboxamide
CID 102776775
N-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779353
3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide
CID 102778018
N-hex-1-yn-3-yloxolane-3-carboxamide
CID 103528440
4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide
CID 106230552
(2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825151
4-tert-butyl-N-hex-1-yn-3-ylcyclohexane-1-carboxamide
CID 114161118
2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide
CID 106228527

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide (CID 106230636) is N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide is C#CC(CCC)NC(=O)C1NCCC1C.
What is the InChIKey of N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide?
The InChIKey is RQFVIGRCVZHZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-6-10(5-2)14-12(15)11-9(3)7-8-13-11/h2,9-11,13H,4,6-8H2,1,3H3,(H,14,15).
What are the key properties of N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide?
N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106230636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).