1-[2-(methylamino)ethyl]-5-methylidenepyrrol-2-one

C8H12N2O — CID 89242522

IUPAC1-[2-(methylamino)ethyl]-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1CCNC
InChIInChI=1S/C8H12N2O/c1-7-3-4-8(11)10(7)6-5-9-2/h3-4,9H,1,5-6H2,2H3
InChIKeyPKXNGKPSUKNJSV-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.12
Rot. Bonds3

About 1-[2-(methylamino)ethyl]-5-methylidenepyrrol-2-one

1-[2-(methylamino)ethyl]-5-methylidenepyrrol-2-one (PubChem CID 89242522) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]-5-methylidenepyrrol-2-one
PubChem CID89242522
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-[2-(methylamino)ethyl]-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1CCNC
InChIInChI=1S/C8H12N2O/c1-7-3-4-8(11)10(7)6-5-9-2/h3-4,9H,1,5-6H2,2H3
InChIKeyPKXNGKPSUKNJSV-UHFFFAOYSA-N
XLogP0.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]-5-methylidenepyrrol-2-one?
The IUPAC name of 1-[2-(methylamino)ethyl]-5-methylidenepyrrol-2-one (CID 89242522) is 1-[2-(methylamino)ethyl]-5-methylidenepyrrol-2-one.
What is the SMILES notation for 1-[2-(methylamino)ethyl]-5-methylidenepyrrol-2-one?
The canonical SMILES for 1-[2-(methylamino)ethyl]-5-methylidenepyrrol-2-one is C=C1C=CC(=O)N1CCNC.
What is the InChIKey of 1-[2-(methylamino)ethyl]-5-methylidenepyrrol-2-one?
The InChIKey is PKXNGKPSUKNJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-7-3-4-8(11)10(7)6-5-9-2/h3-4,9H,1,5-6H2,2H3.
What are the key properties of 1-[2-(methylamino)ethyl]-5-methylidenepyrrol-2-one?
1-[2-(methylamino)ethyl]-5-methylidenepyrrol-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethyl]-5-methylidenepyrrol-2-one is sourced from PubChem (CID 89242522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).