1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide

C11H18N2O — CID 143354246

IUPAC1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide
SMILESC#CCCCNC(=O)C1CCCN1C
InChIInChI=1S/C11H18N2O/c1-3-4-5-8-12-11(14)10-7-6-9-13(10)2/h1,10H,4-9H2,2H3,(H,12,14)
InChIKeyZRWPIUHXGCJSRV-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds4

About 1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide

1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide (PubChem CID 143354246) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide
PubChem CID143354246
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide
SMILESC#CCCCNC(=O)C1CCCN1C
InChIInChI=1S/C11H18N2O/c1-3-4-5-8-12-11(14)10-7-6-9-13(10)2/h1,10H,4-9H2,2H3,(H,12,14)
InChIKeyZRWPIUHXGCJSRV-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde
CID 142213067
4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 110837340
(2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 139684981
(2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide
CID 124857791
N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide
CID 130257130
N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane
CID 143685494
(2S)-1-methyl-N-[3-(1,2,4-triazol-4-yl)propyl]azepane-2-carboxamide
CID 97209651
butane;ethane;1-methyl-3-[1-(1-methylcycloheptyl)-2-oxoethyl]urea;1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide;propan-2-one;N-prop-2-enylformamide
CID 143354244
N-hex-5-ynylcyclopropanecarboxamide
CID 103758008
4-(pent-4-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 106223186
(2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide
CID 131942484
1-methyl-N-(3-phenylsulfanylpropyl)azepane-2-carboxamide
CID 72913227

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide?
The IUPAC name of 1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide (CID 143354246) is 1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide is C#CCCCNC(=O)C1CCCN1C.
What is the InChIKey of 1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide?
The InChIKey is ZRWPIUHXGCJSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-5-8-12-11(14)10-7-6-9-13(10)2/h1,10H,4-9H2,2H3,(H,12,14).
What are the key properties of 1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide?
1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide is sourced from PubChem (CID 143354246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).