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

C11H12N2O — CID 139223927

IUPAC3-(benzylamino)-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(NCc2ccccc2)CN1
InChIInChI=1S/C11H12N2O/c14-11-6-10(8-13-11)12-7-9-4-2-1-3-5-9/h1-6,12H,7-8H2,(H,13,14)
InChIKeyAFHXXMWWQJMYGC-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.79
Rot. Bonds3

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

3-(benzylamino)-1,2-dihydropyrrol-5-one (PubChem CID 139223927) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(benzylamino)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-(benzylamino)-1,2-dihydropyrrol-5-one
PubChem CID139223927
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(benzylamino)-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(NCc2ccccc2)CN1
InChIInChI=1S/C11H12N2O/c14-11-6-10(8-13-11)12-7-9-4-2-1-3-5-9/h1-6,12H,7-8H2,(H,13,14)
InChIKeyAFHXXMWWQJMYGC-UHFFFAOYSA-N
XLogP0.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-(benzylamino)-1,2-dihydropyrrol-5-one (CID 139223927) is 3-(benzylamino)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-(benzylamino)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-(benzylamino)-1,2-dihydropyrrol-5-one is O=C1C=C(NCc2ccccc2)CN1.
What is the InChIKey of 3-(benzylamino)-1,2-dihydropyrrol-5-one?
The InChIKey is AFHXXMWWQJMYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-11-6-10(8-13-11)12-7-9-4-2-1-3-5-9/h1-6,12H,7-8H2,(H,13,14).
What are the key properties of 3-(benzylamino)-1,2-dihydropyrrol-5-one?
3-(benzylamino)-1,2-dihydropyrrol-5-one has a molecular weight of 188.23 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 139223927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).