2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-phenylethanone

C12H14N2O — CID 764049

IUPAC2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-phenylethanone
SMILESO=C(CNC1=NCCC1)c1ccccc1
InChIInChI=1S/C12H14N2O/c15-11(10-5-2-1-3-6-10)9-14-12-7-4-8-13-12/h1-3,5-6H,4,7-9H2,(H,13,14)
InChIKeyCQHPKHQHHAGLCE-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.65
Rot. Bonds3

About 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-phenylethanone

2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-phenylethanone (PubChem CID 764049) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-phenylethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-phenylethanone
PubChem CID764049
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-phenylethanone
SMILESO=C(CNC1=NCCC1)c1ccccc1
InChIInChI=1S/C12H14N2O/c15-11(10-5-2-1-3-6-10)9-14-12-7-4-8-13-12/h1-3,5-6H,4,7-9H2,(H,13,14)
InChIKeyCQHPKHQHHAGLCE-UHFFFAOYSA-N
XLogP1.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-phenylethanone?
The IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-phenylethanone (CID 764049) is 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-phenylethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-phenylethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-phenylethanone is O=C(CNC1=NCCC1)c1ccccc1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-phenylethanone?
The InChIKey is CQHPKHQHHAGLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c15-11(10-5-2-1-3-6-10)9-14-12-7-4-8-13-12/h1-3,5-6H,4,7-9H2,(H,13,14).
What are the key properties of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-phenylethanone?
2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-phenylethanone has a molecular weight of 202.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-phenylethanone is sourced from PubChem (CID 764049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).