N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide

C9H16N2O — CID 112703892

IUPACN-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
SMILESC=C(C)CNC(=O)C1CCCN1
InChIInChI=1S/C9H16N2O/c1-7(2)6-11-9(12)8-4-3-5-10-8/h8,10H,1,3-6H2,2H3,(H,11,12)
InChIKeyBGCWJKANVRLTJH-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.43
Rot. Bonds3

About N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide

N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide (PubChem CID 112703892) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
PubChem CID112703892
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
SMILESC=C(C)CNC(=O)C1CCCN1
InChIInChI=1S/C9H16N2O/c1-7(2)6-11-9(12)8-4-3-5-10-8/h8,10H,1,3-6H2,2H3,(H,11,12)
InChIKeyBGCWJKANVRLTJH-UHFFFAOYSA-N
XLogP0.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.43
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

N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 18324145
(2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 10419946
(2S)-N-[(1-methylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 63829240
(2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride
CID 119755042
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419751
N-propylpyrrolidine-2-carboxamide
CID 4984185
N-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419759
(2S)-N-(2-cyclohexyl-2-oxoethyl)pyrrolidine-2-carboxamide
CID 141027681
N-(fluoromethyl)pyrrolidine-2-carboxamide
CID 123273673
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272921
(2R)-N-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 113266443

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide (CID 112703892) is N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide is C=C(C)CNC(=O)C1CCCN1.
What is the InChIKey of N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide?
The InChIKey is BGCWJKANVRLTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)6-11-9(12)8-4-3-5-10-8/h8,10H,1,3-6H2,2H3,(H,11,12).
What are the key properties of N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide?
N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 112703892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).