(3S)-3-methyl-3,4-dihydropyrrol-2-one

C5H7NO — CID 143664764

IUPAC(3S)-3-methyl-3,4-dihydropyrrol-2-one
SMILESC[C@H]1CC=NC1=O
InChIInChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h3-4H,2H2,1H3/t4-/m0/s1
InChIKeyNIKFVBKOVPGSJZ-BYPYZUCNSA-N
MW97.12 g/mol
LogP0.62
Rot. Bonds

About (3S)-3-methyl-3,4-dihydropyrrol-2-one

(3S)-3-methyl-3,4-dihydropyrrol-2-one (PubChem CID 143664764) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is (3S)-3-methyl-3,4-dihydropyrrol-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-3,4-dihydropyrrol-2-one
PubChem CID143664764
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name(3S)-3-methyl-3,4-dihydropyrrol-2-one
SMILESC[C@H]1CC=NC1=O
InChIInChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h3-4H,2H2,1H3/t4-/m0/s1
InChIKeyNIKFVBKOVPGSJZ-BYPYZUCNSA-N
XLogP0.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3,4-dihydropyrrol-2-one?
The IUPAC name of (3S)-3-methyl-3,4-dihydropyrrol-2-one (CID 143664764) is (3S)-3-methyl-3,4-dihydropyrrol-2-one.
What is the SMILES notation for (3S)-3-methyl-3,4-dihydropyrrol-2-one?
The canonical SMILES for (3S)-3-methyl-3,4-dihydropyrrol-2-one is C[C@H]1CC=NC1=O.
What is the InChIKey of (3S)-3-methyl-3,4-dihydropyrrol-2-one?
The InChIKey is NIKFVBKOVPGSJZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h3-4H,2H2,1H3/t4-/m0/s1.
What are the key properties of (3S)-3-methyl-3,4-dihydropyrrol-2-one?
(3S)-3-methyl-3,4-dihydropyrrol-2-one has a molecular weight of 97.12 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3,4-dihydropyrrol-2-one is sourced from PubChem (CID 143664764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).