(3S,4S)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one

C7H11NO — CID 97302877

IUPAC(3S,4S)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one
SMILESCC1=NC(=O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C7H11NO/c1-4-5(2)7(9)8-6(4)3/h4-5H,1-3H3/t4-,5-/m0/s1
InChIKeyLFPKRQPACWFFHS-WHFBIAKZSA-N
MW125.17 g/mol
LogP1.26
Rot. Bonds

About (3S,4S)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one

(3S,4S)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one (PubChem CID 97302877) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (3S,4S)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one.

Molecular Properties

Compound Name(3S,4S)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one
PubChem CID97302877
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(3S,4S)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one
SMILESCC1=NC(=O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C7H11NO/c1-4-5(2)7(9)8-6(4)3/h4-5H,1-3H3/t4-,5-/m0/s1
InChIKeyLFPKRQPACWFFHS-WHFBIAKZSA-N
XLogP1.26
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one?
The IUPAC name of (3S,4S)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one (CID 97302877) is (3S,4S)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one.
What is the SMILES notation for (3S,4S)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one?
The canonical SMILES for (3S,4S)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one is CC1=NC(=O)[C@@H](C)[C@@H]1C.
What is the InChIKey of (3S,4S)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one?
The InChIKey is LFPKRQPACWFFHS-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-5(2)7(9)8-6(4)3/h4-5H,1-3H3/t4-,5-/m0/s1.
What are the key properties of (3S,4S)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one?
(3S,4S)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one has a molecular weight of 125.17 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one is sourced from PubChem (CID 97302877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).