N-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide

C15H17N3O2 — CID 9026508

IUPACN-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
SMILESCCCOc1ccc(/C=N\NC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C15H17N3O2/c1-2-10-20-13-7-5-12(6-8-13)11-17-18-15(19)14-4-3-9-16-14/h3-9,11,16H,2,10H2,1H3,(H,18,19)/b17-11-
InChIKeyZLVWULKDRCJUMT-BOPFTXTBSA-N
MW271.32 g/mol
LogP2.57
Rot. Bonds6

About N-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide

N-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 9026508) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID9026508
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
SMILESCCCOc1ccc(/C=N\NC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C15H17N3O2/c1-2-10-20-13-7-5-12(6-8-13)11-17-18-15(19)14-4-3-9-16-14/h3-9,11,16H,2,10H2,1H3,(H,18,19)/b17-11-
InChIKeyZLVWULKDRCJUMT-BOPFTXTBSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9025779
N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026718
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9025710
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6881094
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 135547249
3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6027421
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
methyl 2-[4-[(E)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 133169409
N-[(4-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931427

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide (CID 9026508) is N-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide is CCCOc1ccc(/C=N\NC(=O)c2ccc[nH]2)cc1.
What is the InChIKey of N-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is ZLVWULKDRCJUMT-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-10-20-13-7-5-12(6-8-13)11-17-18-15(19)14-4-3-9-16-14/h3-9,11,16H,2,10H2,1H3,(H,18,19)/b17-11-.
What are the key properties of N-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
N-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9026508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).