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

C8H14N2O — CID 45084391

IUPAC(2S)-1-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCN1CCC[C@H]1C(N)=O
InChIInChI=1S/C8H14N2O/c1-2-5-10-6-3-4-7(10)8(9)11/h2,7H,1,3-6H2,(H2,9,11)/t7-/m0/s1
InChIKeyZGZQWSVXYXKBBX-ZETCQYMHSA-N
MW154.21 g/mol
LogP0.12
Rot. Bonds3

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

(2S)-1-prop-2-enylpyrrolidine-2-carboxamide (PubChem CID 45084391) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (2S)-1-prop-2-enylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-prop-2-enylpyrrolidine-2-carboxamide
PubChem CID45084391
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(2S)-1-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCN1CCC[C@H]1C(N)=O
InChIInChI=1S/C8H14N2O/c1-2-5-10-6-3-4-7(10)8(9)11/h2,7H,1,3-6H2,(H2,9,11)/t7-/m0/s1
InChIKeyZGZQWSVXYXKBBX-ZETCQYMHSA-N
XLogP0.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.12
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-prop-2-enylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-prop-2-enylpyrrolidine-2-carboxamide (CID 45084391) is (2S)-1-prop-2-enylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-prop-2-enylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-prop-2-enylpyrrolidine-2-carboxamide is C=CCN1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-prop-2-enylpyrrolidine-2-carboxamide?
The InChIKey is ZGZQWSVXYXKBBX-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-5-10-6-3-4-7(10)8(9)11/h2,7H,1,3-6H2,(H2,9,11)/t7-/m0/s1.
What are the key properties of (2S)-1-prop-2-enylpyrrolidine-2-carboxamide?
(2S)-1-prop-2-enylpyrrolidine-2-carboxamide has a molecular weight of 154.21 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-prop-2-enylpyrrolidine-2-carboxamide is sourced from PubChem (CID 45084391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).