N-methyl-N-pyrrolidin-3-ylbut-3-enamide

C9H16N2O — CID 63298197

IUPACN-methyl-N-pyrrolidin-3-ylbut-3-enamide
SMILESC=CCC(=O)N(C)C1CCNC1
InChIInChI=1S/C9H16N2O/c1-3-4-9(12)11(2)8-5-6-10-7-8/h3,8,10H,1,4-7H2,2H3
InChIKeyWCDSZYDDQZGGIK-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.38
Rot. Bonds3

About N-methyl-N-pyrrolidin-3-ylbut-3-enamide

N-methyl-N-pyrrolidin-3-ylbut-3-enamide (PubChem CID 63298197) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-ylbut-3-enamide.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-ylbut-3-enamide
PubChem CID63298197
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-methyl-N-pyrrolidin-3-ylbut-3-enamide
SMILESC=CCC(=O)N(C)C1CCNC1
InChIInChI=1S/C9H16N2O/c1-3-4-9(12)11(2)8-5-6-10-7-8/h3,8,10H,1,4-7H2,2H3
InChIKeyWCDSZYDDQZGGIK-UHFFFAOYSA-N
XLogP0.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethanesulfinic acid
CID 84674319
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 174958940
N-methyl-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 119011345
N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119554778
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
CID 119554222
2-cyclohexyl-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260670
N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553749
(3S)-N-methyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 131110681
N-methyl-N-piperidin-3-ylprop-2-enamide
CID 63643523
N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide
CID 178118916

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-ylbut-3-enamide?
The IUPAC name of N-methyl-N-pyrrolidin-3-ylbut-3-enamide (CID 63298197) is N-methyl-N-pyrrolidin-3-ylbut-3-enamide.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-ylbut-3-enamide?
The canonical SMILES for N-methyl-N-pyrrolidin-3-ylbut-3-enamide is C=CCC(=O)N(C)C1CCNC1.
What is the InChIKey of N-methyl-N-pyrrolidin-3-ylbut-3-enamide?
The InChIKey is WCDSZYDDQZGGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-4-9(12)11(2)8-5-6-10-7-8/h3,8,10H,1,4-7H2,2H3.
What are the key properties of N-methyl-N-pyrrolidin-3-ylbut-3-enamide?
N-methyl-N-pyrrolidin-3-ylbut-3-enamide has a molecular weight of 168.24 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-ylbut-3-enamide is sourced from PubChem (CID 63298197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).