N-but-3-en-2-yl-3-methylpyrrolidine-1-carboxamide

C10H18N2O — CID 130703038

IUPACN-but-3-en-2-yl-3-methylpyrrolidine-1-carboxamide
SMILESC=CC(C)NC(=O)N1CCC(C)C1
InChIInChI=1S/C10H18N2O/c1-4-9(3)11-10(13)12-6-5-8(2)7-12/h4,8-9H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyMVFZVQAMYJDLIW-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.61
Rot. Bonds2

About N-but-3-en-2-yl-3-methylpyrrolidine-1-carboxamide

N-but-3-en-2-yl-3-methylpyrrolidine-1-carboxamide (PubChem CID 130703038) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-but-3-en-2-yl-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-3-methylpyrrolidine-1-carboxamide
PubChem CID130703038
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-but-3-en-2-yl-3-methylpyrrolidine-1-carboxamide
SMILESC=CC(C)NC(=O)N1CCC(C)C1
InChIInChI=1S/C10H18N2O/c1-4-9(3)11-10(13)12-6-5-8(2)7-12/h4,8-9H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyMVFZVQAMYJDLIW-UHFFFAOYSA-N
XLogP1.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxy)pyrrolidine-1-carboxamide
CID 99856849
3-hydroxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 61226028
(3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide
CID 97030100
ethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine
CID 177053837
3-methyl-N-(2-methylprop-2-enyl)pyrrolidine-1-carboxamide
CID 127013208
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
N-(3-ethylpentan-2-yl)-4-methylpiperidine-1-carboxamide
CID 115619164
N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 79159288
3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115760637
3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
methyl 3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate
CID 5027485
(2S)-5-methoxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107826487

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-3-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-but-3-en-2-yl-3-methylpyrrolidine-1-carboxamide (CID 130703038) is N-but-3-en-2-yl-3-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-but-3-en-2-yl-3-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-but-3-en-2-yl-3-methylpyrrolidine-1-carboxamide is C=CC(C)NC(=O)N1CCC(C)C1.
What is the InChIKey of N-but-3-en-2-yl-3-methylpyrrolidine-1-carboxamide?
The InChIKey is MVFZVQAMYJDLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-9(3)11-10(13)12-6-5-8(2)7-12/h4,8-9H,1,5-7H2,2-3H3,(H,11,13).
What are the key properties of N-but-3-en-2-yl-3-methylpyrrolidine-1-carboxamide?
N-but-3-en-2-yl-3-methylpyrrolidine-1-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 130703038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).