4-butyl-1,2-dihydropyrrol-5-one

C8H13NO — CID 55288192

IUPAC4-butyl-1,2-dihydropyrrol-5-one
SMILESCCCCC1=CCNC1=O
InChIInChI=1S/C8H13NO/c1-2-3-4-7-5-6-9-8(7)10/h5H,2-4,6H2,1H3,(H,9,10)
InChIKeyZXFIBKOCNSKMNB-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.23
Rot. Bonds3

About 4-butyl-1,2-dihydropyrrol-5-one

4-butyl-1,2-dihydropyrrol-5-one (PubChem CID 55288192) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-butyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-butyl-1,2-dihydropyrrol-5-one
PubChem CID55288192
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-butyl-1,2-dihydropyrrol-5-one
SMILESCCCCC1=CCNC1=O
InChIInChI=1S/C8H13NO/c1-2-3-4-7-5-6-9-8(7)10/h5H,2-4,6H2,1H3,(H,9,10)
InChIKeyZXFIBKOCNSKMNB-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-butyl-1,2-dihydropyrrol-5-one (CID 55288192) is 4-butyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-butyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-butyl-1,2-dihydropyrrol-5-one is CCCCC1=CCNC1=O.
What is the InChIKey of 4-butyl-1,2-dihydropyrrol-5-one?
The InChIKey is ZXFIBKOCNSKMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-4-7-5-6-9-8(7)10/h5H,2-4,6H2,1H3,(H,9,10).
What are the key properties of 4-butyl-1,2-dihydropyrrol-5-one?
4-butyl-1,2-dihydropyrrol-5-one has a molecular weight of 139.20 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 55288192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).