3-methyl-4-prop-1-enyl-1,2-dihydropyrrol-5-one

C8H11NO — CID 123469741

IUPAC3-methyl-4-prop-1-enyl-1,2-dihydropyrrol-5-one
SMILESCC=CC1=C(C)CNC1=O
InChIInChI=1S/C8H11NO/c1-3-4-7-6(2)5-9-8(7)10/h3-4H,5H2,1-2H3,(H,9,10)
InChIKeyNARQJBKCHHABCB-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.01
Rot. Bonds1

About 3-methyl-4-prop-1-enyl-1,2-dihydropyrrol-5-one

3-methyl-4-prop-1-enyl-1,2-dihydropyrrol-5-one (PubChem CID 123469741) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-methyl-4-prop-1-enyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-methyl-4-prop-1-enyl-1,2-dihydropyrrol-5-one
PubChem CID123469741
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-methyl-4-prop-1-enyl-1,2-dihydropyrrol-5-one
SMILESCC=CC1=C(C)CNC1=O
InChIInChI=1S/C8H11NO/c1-3-4-7-6(2)5-9-8(7)10/h3-4H,5H2,1-2H3,(H,9,10)
InChIKeyNARQJBKCHHABCB-UHFFFAOYSA-N
XLogP1.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-prop-1-enyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-methyl-4-prop-1-enyl-1,2-dihydropyrrol-5-one (CID 123469741) is 3-methyl-4-prop-1-enyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-methyl-4-prop-1-enyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-methyl-4-prop-1-enyl-1,2-dihydropyrrol-5-one is CC=CC1=C(C)CNC1=O.
What is the InChIKey of 3-methyl-4-prop-1-enyl-1,2-dihydropyrrol-5-one?
The InChIKey is NARQJBKCHHABCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-4-7-6(2)5-9-8(7)10/h3-4H,5H2,1-2H3,(H,9,10).
What are the key properties of 3-methyl-4-prop-1-enyl-1,2-dihydropyrrol-5-one?
3-methyl-4-prop-1-enyl-1,2-dihydropyrrol-5-one has a molecular weight of 137.18 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-prop-1-enyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 123469741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).