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

C10H18N2O — CID 115747650

IUPACN-but-3-en-2-yl-2-methylpyrrolidine-2-carboxamide
SMILESC=CC(C)NC(=O)C1(C)CCCN1
InChIInChI=1S/C10H18N2O/c1-4-8(2)12-9(13)10(3)6-5-7-11-10/h4,8,11H,1,5-7H2,2-3H3,(H,12,13)
InChIKeyHIPKCTKNHAOLHZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.82
Rot. Bonds3

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

N-but-3-en-2-yl-2-methylpyrrolidine-2-carboxamide (PubChem CID 115747650) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-methylpyrrolidine-2-carboxamide
PubChem CID115747650
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-but-3-en-2-yl-2-methylpyrrolidine-2-carboxamide
SMILESC=CC(C)NC(=O)C1(C)CCCN1
InChIInChI=1S/C10H18N2O/c1-4-8(2)12-9(13)10(3)6-5-7-11-10/h4,8,11H,1,5-7H2,2-3H3,(H,12,13)
InChIKeyHIPKCTKNHAOLHZ-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
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-[(E)-8-amino-2-methyl-8-oxooct-5-en-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 44386090
(2R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73352938
(2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]-2,5-dihydropyrrole-2-carboxamide
CID 73354462
(2R)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]-2,5-dihydropyrrole-2-carboxamide
CID 73354463
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73356020
N-(prop-2-en-1-yl)pyrrolidine-2-carboxamide
CID 24710865
5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 15991840
(2R)-N,N-dimethyl-2-prop-2-enylpyrrolidine-2-carboxamide
CID 154720748
4,4-difluoro-N-pent-4-en-2-ylpyrrolidine-2-carboxamide
CID 120350194
(2R,4S)-4-fluoro-N-pent-4-en-2-ylpyrrolidine-2-carboxamide
CID 120469628
(2R,4S)-4-fluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide
CID 120607745
N-but-3-en-2-yl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 130639711

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-but-3-en-2-yl-2-methylpyrrolidine-2-carboxamide (CID 115747650) is N-but-3-en-2-yl-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-but-3-en-2-yl-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-but-3-en-2-yl-2-methylpyrrolidine-2-carboxamide is C=CC(C)NC(=O)C1(C)CCCN1.
What is the InChIKey of N-but-3-en-2-yl-2-methylpyrrolidine-2-carboxamide?
The InChIKey is HIPKCTKNHAOLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-8(2)12-9(13)10(3)6-5-7-11-10/h4,8,11H,1,5-7H2,2-3H3,(H,12,13).
What are the key properties of N-but-3-en-2-yl-2-methylpyrrolidine-2-carboxamide?
N-but-3-en-2-yl-2-methylpyrrolidine-2-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 115747650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).