(2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide

C9H16N2O — CID 54539887

IUPAC(2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCNC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C9H16N2O/c1-3-6-10-9(12)8-5-4-7-11(8)2/h3,8H,1,4-7H2,2H3,(H,10,12)/t8-/m0/s1
InChIKeyZCKDBRPRWYCMFE-QMMMGPOBSA-N
MW168.24 g/mol
LogP0.38
Rot. Bonds3

About (2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide

(2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide (PubChem CID 54539887) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide
PubChem CID54539887
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCNC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C9H16N2O/c1-3-6-10-9(12)8-5-4-7-11(8)2/h3,8H,1,4-7H2,2H3,(H,10,12)/t8-/m0/s1
InChIKeyZCKDBRPRWYCMFE-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide (CID 54539887) is (2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide is C=CCNC(=O)[C@@H]1CCCN1C.
What is the InChIKey of (2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide?
The InChIKey is ZCKDBRPRWYCMFE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-6-10-9(12)8-5-4-7-11(8)2/h3,8H,1,4-7H2,2H3,(H,10,12)/t8-/m0/s1.
What are the key properties of (2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide?
(2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide 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 (2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54539887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).