(2S)-2-(5-oxo-2H-pyrrol-1-yl)butanamide

C8H12N2O2 — CID 59473878

IUPAC(2S)-2-(5-oxo-2H-pyrrol-1-yl)butanamide
SMILESCC[C@@H](C(N)=O)N1CC=CC1=O
InChIInChI=1S/C8H12N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h3-4,6H,2,5H2,1H3,(H2,9,12)/t6-/m0/s1
InChIKeyBYXKUMFEZGUWIZ-LURJTMIESA-N
MW168.20 g/mol
LogP-0.35
Rot. Bonds3

About (2S)-2-(5-oxo-2H-pyrrol-1-yl)butanamide

(2S)-2-(5-oxo-2H-pyrrol-1-yl)butanamide (PubChem CID 59473878) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2S)-2-(5-oxo-2H-pyrrol-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(5-oxo-2H-pyrrol-1-yl)butanamide
PubChem CID59473878
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2S)-2-(5-oxo-2H-pyrrol-1-yl)butanamide
SMILESCC[C@@H](C(N)=O)N1CC=CC1=O
InChIInChI=1S/C8H12N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h3-4,6H,2,5H2,1H3,(H2,9,12)/t6-/m0/s1
InChIKeyBYXKUMFEZGUWIZ-LURJTMIESA-N
XLogP-0.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-oxo-2H-pyrrol-1-yl)butanamide?
The IUPAC name of (2S)-2-(5-oxo-2H-pyrrol-1-yl)butanamide (CID 59473878) is (2S)-2-(5-oxo-2H-pyrrol-1-yl)butanamide.
What is the SMILES notation for (2S)-2-(5-oxo-2H-pyrrol-1-yl)butanamide?
The canonical SMILES for (2S)-2-(5-oxo-2H-pyrrol-1-yl)butanamide is CC[C@@H](C(N)=O)N1CC=CC1=O.
What is the InChIKey of (2S)-2-(5-oxo-2H-pyrrol-1-yl)butanamide?
The InChIKey is BYXKUMFEZGUWIZ-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h3-4,6H,2,5H2,1H3,(H2,9,12)/t6-/m0/s1.
What are the key properties of (2S)-2-(5-oxo-2H-pyrrol-1-yl)butanamide?
(2S)-2-(5-oxo-2H-pyrrol-1-yl)butanamide has a molecular weight of 168.20 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-oxo-2H-pyrrol-1-yl)butanamide is sourced from PubChem (CID 59473878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).