(2S)-1-prop-1-en-2-ylpyrrolidine-2-carboxamide

C8H14N2O — CID 89084344

IUPAC(2S)-1-prop-1-en-2-ylpyrrolidine-2-carboxamide
SMILESC=C(C)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C8H14N2O/c1-6(2)10-5-3-4-7(10)8(9)11/h7H,1,3-5H2,2H3,(H2,9,11)/t7-/m0/s1
InChIKeyLUDLAIQNJSUUKH-ZETCQYMHSA-N
MW154.21 g/mol
LogP0.47
Rot. Bonds2

About (2S)-1-prop-1-en-2-ylpyrrolidine-2-carboxamide

(2S)-1-prop-1-en-2-ylpyrrolidine-2-carboxamide (PubChem CID 89084344) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (2S)-1-prop-1-en-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-prop-1-en-2-ylpyrrolidine-2-carboxamide
PubChem CID89084344
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(2S)-1-prop-1-en-2-ylpyrrolidine-2-carboxamide
SMILESC=C(C)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C8H14N2O/c1-6(2)10-5-3-4-7(10)8(9)11/h7H,1,3-5H2,2H3,(H2,9,11)/t7-/m0/s1
InChIKeyLUDLAIQNJSUUKH-ZETCQYMHSA-N
XLogP0.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(-)-1-Ethyl-2-pyrrolidinecarboxamide
CID 10866443
1-Ethylpyrrolidine-2-carboxamide
CID 566738
(R)-(+)-1-Ethyl-2-pyrrolidinecarboxamide
CID 22215364
(S)-1-Allylpyrrolidine-2-carboxamide
CID 45084391
1-Methylpyrrolidine-2-carboxamide
CID 14245856
(2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide
CID 134855260
(2S)-1-[(E)-but-1-enyl]pyrrolidine-2-carboxamide
CID 135055050
1-Pyrrolidinecarboxamide, N-1,3-butadienyl-, (E)-
CID 5463368
(2S,4R)-1-[(E)-but-2-enyl]-4-fluoropyrrolidine-2-carboxamide
CID 131241369
(S)-1-Methylpyrrolidine-2-carboxamide
CID 14245857
(S)-1-Propylpyrrolidine-2-carboxamide
CID 14890807
(S)-1-Butylpyrrolidine-2-carboxamide
CID 14890809

Frequently Asked Questions

What is the IUPAC name of (2S)-1-prop-1-en-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-prop-1-en-2-ylpyrrolidine-2-carboxamide (CID 89084344) is (2S)-1-prop-1-en-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-prop-1-en-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-prop-1-en-2-ylpyrrolidine-2-carboxamide is C=C(C)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-prop-1-en-2-ylpyrrolidine-2-carboxamide?
The InChIKey is LUDLAIQNJSUUKH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)10-5-3-4-7(10)8(9)11/h7H,1,3-5H2,2H3,(H2,9,11)/t7-/m0/s1.
What are the key properties of (2S)-1-prop-1-en-2-ylpyrrolidine-2-carboxamide?
(2S)-1-prop-1-en-2-ylpyrrolidine-2-carboxamide has a molecular weight of 154.21 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-prop-1-en-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 89084344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).