N-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]-1H-pyrrole-2-carboxamide

C15H21N3O — CID 9026331

IUPACN-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]-1H-pyrrole-2-carboxamide
SMILESCCCCCC1=CCC/C1=N/NC(=O)c1ccc[nH]1
InChIInChI=1S/C15H21N3O/c1-2-3-4-7-12-8-5-9-13(12)17-18-15(19)14-10-6-11-16-14/h6,8,10-11,16H,2-5,7,9H2,1H3,(H,18,19)/b17-13-
InChIKeyUWKINNPTTIMMKD-LGMDPLHJSA-N
MW259.35 g/mol
LogP3.40
Rot. Bonds6

About N-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]-1H-pyrrole-2-carboxamide

N-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]-1H-pyrrole-2-carboxamide (PubChem CID 9026331) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]-1H-pyrrole-2-carboxamide
PubChem CID9026331
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]-1H-pyrrole-2-carboxamide
SMILESCCCCCC1=CCC/C1=N/NC(=O)c1ccc[nH]1
InChIInChI=1S/C15H21N3O/c1-2-3-4-7-12-8-5-9-13(12)17-18-15(19)14-10-6-11-16-14/h6,8,10-11,16H,2-5,7,9H2,1H3,(H,18,19)/b17-13-
InChIKeyUWKINNPTTIMMKD-LGMDPLHJSA-N
XLogP3.40
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]-1H-pyrrole-2-carboxamide (CID 9026331) is N-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]-1H-pyrrole-2-carboxamide is CCCCCC1=CCC/C1=N/NC(=O)c1ccc[nH]1.
What is the InChIKey of N-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]-1H-pyrrole-2-carboxamide?
The InChIKey is UWKINNPTTIMMKD-LGMDPLHJSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-3-4-7-12-8-5-9-13(12)17-18-15(19)14-10-6-11-16-14/h6,8,10-11,16H,2-5,7,9H2,1H3,(H,18,19)/b17-13-.
What are the key properties of N-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]-1H-pyrrole-2-carboxamide?
N-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]-1H-pyrrole-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9026331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).