3-(propylamino)-1,2-dihydropyrrol-5-one

C7H12N2O — CID 139223926

IUPAC3-(propylamino)-1,2-dihydropyrrol-5-one
SMILESCCCNC1=CC(=O)NC1
InChIInChI=1S/C7H12N2O/c1-2-3-8-6-4-7(10)9-5-6/h4,8H,2-3,5H2,1H3,(H,9,10)
InChIKeyMNFCXJXSNKJJST-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.00
Rot. Bonds3

About 3-(propylamino)-1,2-dihydropyrrol-5-one

3-(propylamino)-1,2-dihydropyrrol-5-one (PubChem CID 139223926) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-(propylamino)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-(propylamino)-1,2-dihydropyrrol-5-one
PubChem CID139223926
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-(propylamino)-1,2-dihydropyrrol-5-one
SMILESCCCNC1=CC(=O)NC1
InChIInChI=1S/C7H12N2O/c1-2-3-8-6-4-7(10)9-5-6/h4,8H,2-3,5H2,1H3,(H,9,10)
InChIKeyMNFCXJXSNKJJST-UHFFFAOYSA-N
XLogP-0.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-(propylamino)-1,2-dihydropyrrol-5-one (CID 139223926) is 3-(propylamino)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-(propylamino)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-(propylamino)-1,2-dihydropyrrol-5-one is CCCNC1=CC(=O)NC1.
What is the InChIKey of 3-(propylamino)-1,2-dihydropyrrol-5-one?
The InChIKey is MNFCXJXSNKJJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-3-8-6-4-7(10)9-5-6/h4,8H,2-3,5H2,1H3,(H,9,10).
What are the key properties of 3-(propylamino)-1,2-dihydropyrrol-5-one?
3-(propylamino)-1,2-dihydropyrrol-5-one has a molecular weight of 140.19 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 139223926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).