N-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide

C11H18N2O — CID 130481480

IUPACN-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide
SMILESC#CC(NC(=O)C1CCNC1)C(C)C
InChIInChI=1S/C11H18N2O/c1-4-10(8(2)3)13-11(14)9-5-6-12-7-9/h1,8-10,12H,5-7H2,2-3H3,(H,13,14)
InChIKeyZRKQLDYAPFNUHY-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.37
Rot. Bonds3

About N-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide

N-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide (PubChem CID 130481480) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide
PubChem CID130481480
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide
SMILESC#CC(NC(=O)C1CCNC1)C(C)C
InChIInChI=1S/C11H18N2O/c1-4-10(8(2)3)13-11(14)9-5-6-12-7-9/h1,8-10,12H,5-7H2,2-3H3,(H,13,14)
InChIKeyZRKQLDYAPFNUHY-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 63005391
(2S)-3-methyl-2-(pyrrolidine-3-carbonylamino)butanoic acid
CID 63006443
N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 63005398
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
(3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide
CID 164655377
N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119748205
(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide
CID 119809069
N-(4-methylpent-1-yn-3-yl)oxetane-2-carboxamide
CID 130748567
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81139769

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide (CID 130481480) is N-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide is C#CC(NC(=O)C1CCNC1)C(C)C.
What is the InChIKey of N-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is ZRKQLDYAPFNUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-10(8(2)3)13-11(14)9-5-6-12-7-9/h1,8-10,12H,5-7H2,2-3H3,(H,13,14).
What are the key properties of N-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide?
N-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 130481480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).