1-methyl-N-prop-1-en-2-ylpyrrolidine-2-carboxamide

C9H16N2O — CID 91306005

IUPAC1-methyl-N-prop-1-en-2-ylpyrrolidine-2-carboxamide
SMILESC=C(C)NC(=O)C1CCCN1C
InChIInChI=1S/C9H16N2O/c1-7(2)10-9(12)8-5-4-6-11(8)3/h8H,1,4-6H2,2-3H3,(H,10,12)
InChIKeyFMSNZOWIKYEZCS-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.73
Rot. Bonds2

About 1-methyl-N-prop-1-en-2-ylpyrrolidine-2-carboxamide

1-methyl-N-prop-1-en-2-ylpyrrolidine-2-carboxamide (PubChem CID 91306005) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-methyl-N-prop-1-en-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-prop-1-en-2-ylpyrrolidine-2-carboxamide
PubChem CID91306005
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-methyl-N-prop-1-en-2-ylpyrrolidine-2-carboxamide
SMILESC=C(C)NC(=O)C1CCCN1C
InChIInChI=1S/C9H16N2O/c1-7(2)10-9(12)8-5-4-6-11(8)3/h8H,1,4-6H2,2-3H3,(H,10,12)
InChIKeyFMSNZOWIKYEZCS-UHFFFAOYSA-N
XLogP0.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]pyrrolidine-2-carboxamide
CID 143541698
(2S)-1-acetyl-N-[3-(methylamino)-3-oxoprop-1-en-2-yl]pyrrolidine-2-carboxamide
CID 14632658
(2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide
CID 134855260
(2S)-1-[(E)-but-1-enyl]pyrrolidin-1-ium-2-carboxamide chloride
CID 135055049
(2S)-1-[(E)-but-1-enyl]pyrrolidine-2-carboxamide
CID 135055050
1-Pyrrolidinecarboxamide, N-1,3-butadienyl-, (E)-
CID 5463368
N-methyl-1-undeca-1,2,3,4,5,6,7,8,9,10-decaenylpyrrolidine-2-carboxamide
CID 23523791
N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide
CID 54301570
(2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 54539887
N,N-dimethyl-5-methylidenepyrrolidine-2-carboxamide
CID 57848993
N-methyl-5-methylidenepyrrolidine-2-carboxamide
CID 57848996
(2S)-1-methyl-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide
CID 59900110

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-prop-1-en-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-methyl-N-prop-1-en-2-ylpyrrolidine-2-carboxamide (CID 91306005) is 1-methyl-N-prop-1-en-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-prop-1-en-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-methyl-N-prop-1-en-2-ylpyrrolidine-2-carboxamide is C=C(C)NC(=O)C1CCCN1C.
What is the InChIKey of 1-methyl-N-prop-1-en-2-ylpyrrolidine-2-carboxamide?
The InChIKey is FMSNZOWIKYEZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)10-9(12)8-5-4-6-11(8)3/h8H,1,4-6H2,2-3H3,(H,10,12).
What are the key properties of 1-methyl-N-prop-1-en-2-ylpyrrolidine-2-carboxamide?
1-methyl-N-prop-1-en-2-ylpyrrolidine-2-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-prop-1-en-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 91306005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).