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

C8H14N2O — CID 139223930

IUPAC2-methyl-3-(propylamino)-1,2-dihydropyrrol-5-one
SMILESCCCNC1=CC(=O)NC1C
InChIInChI=1S/C8H14N2O/c1-3-4-9-7-5-8(11)10-6(7)2/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyQYDLDSBTPUHFHH-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.39
Rot. Bonds3

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

2-methyl-3-(propylamino)-1,2-dihydropyrrol-5-one (PubChem CID 139223930) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methyl-3-(propylamino)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name2-methyl-3-(propylamino)-1,2-dihydropyrrol-5-one
PubChem CID139223930
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-methyl-3-(propylamino)-1,2-dihydropyrrol-5-one
SMILESCCCNC1=CC(=O)NC1C
InChIInChI=1S/C8H14N2O/c1-3-4-9-7-5-8(11)10-6(7)2/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyQYDLDSBTPUHFHH-UHFFFAOYSA-N
XLogP0.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(propylamino)-1,2-dihydropyrrol-5-one?
The IUPAC name of 2-methyl-3-(propylamino)-1,2-dihydropyrrol-5-one (CID 139223930) is 2-methyl-3-(propylamino)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 2-methyl-3-(propylamino)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 2-methyl-3-(propylamino)-1,2-dihydropyrrol-5-one is CCCNC1=CC(=O)NC1C.
What is the InChIKey of 2-methyl-3-(propylamino)-1,2-dihydropyrrol-5-one?
The InChIKey is QYDLDSBTPUHFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-9-7-5-8(11)10-6(7)2/h5-6,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-3-(propylamino)-1,2-dihydropyrrol-5-one?
2-methyl-3-(propylamino)-1,2-dihydropyrrol-5-one has a molecular weight of 154.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(propylamino)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 139223930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).