N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide

C10H18N2O — CID 106186798

IUPACN-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
SMILESCC(C)=CCNC(=O)C1CCNC1
InChIInChI=1S/C10H18N2O/c1-8(2)3-6-12-10(13)9-4-5-11-7-9/h3,9,11H,4-7H2,1-2H3,(H,12,13)
InChIKeyXETVRAGMUZXDFC-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.68
Rot. Bonds3

About N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide

N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide (PubChem CID 106186798) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
PubChem CID106186798
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
SMILESCC(C)=CCNC(=O)C1CCNC1
InChIInChI=1S/C10H18N2O/c1-8(2)3-6-12-10(13)9-4-5-11-7-9/h3,9,11H,4-7H2,1-2H3,(H,12,13)
InChIKeyXETVRAGMUZXDFC-UHFFFAOYSA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-prop-2-enylpyrrolidine-3-carboxamide
CID 94915636
N-(cyanomethyl)pyrrolidine-3-carboxamide
CID 63005211
(3R)-N-(azetidin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131181581
(3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 94915781
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide
CID 83617629
2-hydroxy-2-methyl-3-(pyrrolidine-3-carbonylamino)propanoic acid
CID 66177040
N-acetylpyrrolidine-3-carboxamide
CID 69120322
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
(2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid
CID 107835954
(3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 131134696
N-[(2-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 115738405

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide (CID 106186798) is N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide is CC(C)=CCNC(=O)C1CCNC1.
What is the InChIKey of N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide?
The InChIKey is XETVRAGMUZXDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)3-6-12-10(13)9-4-5-11-7-9/h3,9,11H,4-7H2,1-2H3,(H,12,13).
What are the key properties of N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide?
N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106186798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).