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

C15H15N3O — CID 135472530

IUPAC2-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide
SMILESO=C(N/N=C/c1ccc[nH]1)C1CC1c1ccccc1
InChIInChI=1S/C15H15N3O/c19-15(18-17-10-12-7-4-8-16-12)14-9-13(14)11-5-2-1-3-6-11/h1-8,10,13-14,16H,9H2,(H,18,19)/b17-10+
InChIKeyFVEWTLALAOXCBQ-LICLKQGHSA-N
MW253.31 g/mol
LogP2.27
Rot. Bonds4

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

2-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide (PubChem CID 135472530) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide
PubChem CID135472530
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide
SMILESO=C(N/N=C/c1ccc[nH]1)C1CC1c1ccccc1
InChIInChI=1S/C15H15N3O/c19-15(18-17-10-12-7-4-8-16-12)14-9-13(14)11-5-2-1-3-6-11/h1-8,10,13-14,16H,9H2,(H,18,19)/b17-10+
InChIKeyFVEWTLALAOXCBQ-LICLKQGHSA-N
XLogP2.27
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.27
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-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide?
The IUPAC name of 2-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide (CID 135472530) is 2-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide?
The canonical SMILES for 2-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide is O=C(N/N=C/c1ccc[nH]1)C1CC1c1ccccc1.
What is the InChIKey of 2-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide?
The InChIKey is FVEWTLALAOXCBQ-LICLKQGHSA-N. The full InChI is InChI=1S/C15H15N3O/c19-15(18-17-10-12-7-4-8-16-12)14-9-13(14)11-5-2-1-3-6-11/h1-8,10,13-14,16H,9H2,(H,18,19)/b17-10+.
What are the key properties of 2-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide?
2-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 135472530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).