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

C9H14N2O2 — CID 10035260

IUPAC(2S)-N-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide
SMILESC=CC(=O)N1CCC[C@H]1C(=O)NC
InChIInChI=1S/C9H14N2O2/c1-3-8(12)11-6-4-5-7(11)9(13)10-2/h3,7H,1,4-6H2,2H3,(H,10,13)/t7-/m0/s1
InChIKeyAYYAKZYJNFANCQ-ZETCQYMHSA-N
MW182.22 g/mol
LogP-0.09
Rot. Bonds2

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

(2S)-N-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide (PubChem CID 10035260) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2S)-N-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide
PubChem CID10035260
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(2S)-N-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide
SMILESC=CC(=O)N1CCC[C@H]1C(=O)NC
InChIInChI=1S/C9H14N2O2/c1-3-8(12)11-6-4-5-7(11)9(13)10-2/h3,7H,1,4-6H2,2H3,(H,10,13)/t7-/m0/s1
InChIKeyAYYAKZYJNFANCQ-ZETCQYMHSA-N
XLogP-0.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide (CID 10035260) is (2S)-N-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide is C=CC(=O)N1CCC[C@H]1C(=O)NC.
What is the InChIKey of (2S)-N-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide?
The InChIKey is AYYAKZYJNFANCQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-8(12)11-6-4-5-7(11)9(13)10-2/h3,7H,1,4-6H2,2H3,(H,10,13)/t7-/m0/s1.
What are the key properties of (2S)-N-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide?
(2S)-N-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide has a molecular weight of 182.22 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10035260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).