2-(benzhydrylideneamino)-1-pyrrolidin-1-ylethanone

C19H20N2O — CID 11077198

IUPAC2-(benzhydrylideneamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CN=C(c1ccccc1)c1ccccc1)N1CCCC1
InChIInChI=1S/C19H20N2O/c22-18(21-13-7-8-14-21)15-20-19(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2
InChIKeyNKBCFEAMOFEERT-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.15
Rot. Bonds4

About 2-(benzhydrylideneamino)-1-pyrrolidin-1-ylethanone

2-(benzhydrylideneamino)-1-pyrrolidin-1-ylethanone (PubChem CID 11077198) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(benzhydrylideneamino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(benzhydrylideneamino)-1-pyrrolidin-1-ylethanone
PubChem CID11077198
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-(benzhydrylideneamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CN=C(c1ccccc1)c1ccccc1)N1CCCC1
InChIInChI=1S/C19H20N2O/c22-18(21-13-7-8-14-21)15-20-19(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2
InChIKeyNKBCFEAMOFEERT-UHFFFAOYSA-N
XLogP3.15
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylideneamino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(benzhydrylideneamino)-1-pyrrolidin-1-ylethanone (CID 11077198) is 2-(benzhydrylideneamino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(benzhydrylideneamino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(benzhydrylideneamino)-1-pyrrolidin-1-ylethanone is O=C(CN=C(c1ccccc1)c1ccccc1)N1CCCC1.
What is the InChIKey of 2-(benzhydrylideneamino)-1-pyrrolidin-1-ylethanone?
The InChIKey is NKBCFEAMOFEERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c22-18(21-13-7-8-14-21)15-20-19(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2.
What are the key properties of 2-(benzhydrylideneamino)-1-pyrrolidin-1-ylethanone?
2-(benzhydrylideneamino)-1-pyrrolidin-1-ylethanone has a molecular weight of 292.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylideneamino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 11077198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).