2,2-diphenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide

C21H19N3O — CID 162669964

IUPAC2,2-diphenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide
SMILESO=C(N/N=C/c1ccc[nH]1)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19N3O/c25-20(24-23-15-18-12-7-13-22-18)19-14-21(19,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,15,19,22H,14H2,(H,24,25)/b23-15+
InChIKeyDMIWQUPEWDPYGZ-HZHRSRAPSA-N
MW329.40 g/mol
LogP3.47
Rot. Bonds5

About 2,2-diphenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide

2,2-diphenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide (PubChem CID 162669964) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2,2-diphenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide
PubChem CID162669964
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2,2-diphenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide
SMILESO=C(N/N=C/c1ccc[nH]1)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19N3O/c25-20(24-23-15-18-12-7-13-22-18)19-14-21(19,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,15,19,22H,14H2,(H,24,25)/b23-15+
InChIKeyDMIWQUPEWDPYGZ-HZHRSRAPSA-N
XLogP3.47
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-diphenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide (CID 162669964) is 2,2-diphenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-diphenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-diphenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide is O=C(N/N=C/c1ccc[nH]1)C1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide?
The InChIKey is DMIWQUPEWDPYGZ-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H19N3O/c25-20(24-23-15-18-12-7-13-22-18)19-14-21(19,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,15,19,22H,14H2,(H,24,25)/b23-15+.
What are the key properties of 2,2-diphenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide?
2,2-diphenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 162669964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).