3-propan-2-yl-3,4-dihydropyrrol-2-one

C7H11NO — CID 169094910

IUPAC3-propan-2-yl-3,4-dihydropyrrol-2-one
SMILESCC(C)C1CC=NC1=O
InChIInChI=1S/C7H11NO/c1-5(2)6-3-4-8-7(6)9/h4-6H,3H2,1-2H3
InChIKeyDBNNIRVZOCGJQW-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.26
Rot. Bonds1

About 3-propan-2-yl-3,4-dihydropyrrol-2-one

3-propan-2-yl-3,4-dihydropyrrol-2-one (PubChem CID 169094910) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-propan-2-yl-3,4-dihydropyrrol-2-one.

Molecular Properties

Compound Name3-propan-2-yl-3,4-dihydropyrrol-2-one
PubChem CID169094910
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-propan-2-yl-3,4-dihydropyrrol-2-one
SMILESCC(C)C1CC=NC1=O
InChIInChI=1S/C7H11NO/c1-5(2)6-3-4-8-7(6)9/h4-6H,3H2,1-2H3
InChIKeyDBNNIRVZOCGJQW-UHFFFAOYSA-N
XLogP1.26
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 3-propan-2-yl-3,4-dihydropyrrol-2-one?
The IUPAC name of 3-propan-2-yl-3,4-dihydropyrrol-2-one (CID 169094910) is 3-propan-2-yl-3,4-dihydropyrrol-2-one.
What is the SMILES notation for 3-propan-2-yl-3,4-dihydropyrrol-2-one?
The canonical SMILES for 3-propan-2-yl-3,4-dihydropyrrol-2-one is CC(C)C1CC=NC1=O.
What is the InChIKey of 3-propan-2-yl-3,4-dihydropyrrol-2-one?
The InChIKey is DBNNIRVZOCGJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5(2)6-3-4-8-7(6)9/h4-6H,3H2,1-2H3.
What are the key properties of 3-propan-2-yl-3,4-dihydropyrrol-2-one?
3-propan-2-yl-3,4-dihydropyrrol-2-one has a molecular weight of 125.17 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3,4-dihydropyrrol-2-one is sourced from PubChem (CID 169094910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).