3,4,4,5-tetramethyl-3H-pyrrol-2-one

C8H13NO — CID 175275708

IUPAC3,4,4,5-tetramethyl-3H-pyrrol-2-one
SMILESCC1=NC(=O)C(C)C1(C)C
InChIInChI=1S/C8H13NO/c1-5-7(10)9-6(2)8(5,3)4/h5H,1-4H3
InChIKeyVIBLTMRZQNMKPX-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.65
Rot. Bonds

About 3,4,4,5-tetramethyl-3H-pyrrol-2-one

3,4,4,5-tetramethyl-3H-pyrrol-2-one (PubChem CID 175275708) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3,4,4,5-tetramethyl-3H-pyrrol-2-one.

Molecular Properties

Compound Name3,4,4,5-tetramethyl-3H-pyrrol-2-one
PubChem CID175275708
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3,4,4,5-tetramethyl-3H-pyrrol-2-one
SMILESCC1=NC(=O)C(C)C1(C)C
InChIInChI=1S/C8H13NO/c1-5-7(10)9-6(2)8(5,3)4/h5H,1-4H3
InChIKeyVIBLTMRZQNMKPX-UHFFFAOYSA-N
XLogP1.65
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,5-tetramethyl-3H-pyrrol-2-one?
The IUPAC name of 3,4,4,5-tetramethyl-3H-pyrrol-2-one (CID 175275708) is 3,4,4,5-tetramethyl-3H-pyrrol-2-one.
What is the SMILES notation for 3,4,4,5-tetramethyl-3H-pyrrol-2-one?
The canonical SMILES for 3,4,4,5-tetramethyl-3H-pyrrol-2-one is CC1=NC(=O)C(C)C1(C)C.
What is the InChIKey of 3,4,4,5-tetramethyl-3H-pyrrol-2-one?
The InChIKey is VIBLTMRZQNMKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-7(10)9-6(2)8(5,3)4/h5H,1-4H3.
What are the key properties of 3,4,4,5-tetramethyl-3H-pyrrol-2-one?
3,4,4,5-tetramethyl-3H-pyrrol-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5-tetramethyl-3H-pyrrol-2-one is sourced from PubChem (CID 175275708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).