N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide

C17H19N3O2 — CID 50854205

IUPACN-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide
SMILESO=C(N/N=C/c1ccn(C2CCCC2)c1)c1cccc(O)c1
InChIInChI=1S/C17H19N3O2/c21-16-7-3-4-14(10-16)17(22)19-18-11-13-8-9-20(12-13)15-5-1-2-6-15/h3-4,7-12,15,21H,1-2,5-6H2,(H,19,22)/b18-11+
InChIKeyOIFCPTYLYXZPBA-WOJGMQOQSA-N
MW297.36 g/mol
LogP3.07
Rot. Bonds4

About N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide

N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide (PubChem CID 50854205) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide
PubChem CID50854205
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide
SMILESO=C(N/N=C/c1ccn(C2CCCC2)c1)c1cccc(O)c1
InChIInChI=1S/C17H19N3O2/c21-16-7-3-4-14(10-16)17(22)19-18-11-13-8-9-20(12-13)15-5-1-2-6-15/h3-4,7-12,15,21H,1-2,5-6H2,(H,19,22)/b18-11+
InChIKeyOIFCPTYLYXZPBA-WOJGMQOQSA-N
XLogP3.07
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide
CID 50854256
N-[(E)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 50854462
N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide
CID 50854394
2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide
CID 50854202
N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110
N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 50854369
N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide
CID 50854504
N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 50854226
3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6911445
N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide
CID 2695972
N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide
CID 50854108
3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137080354

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide (CID 50854205) is N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide is O=C(N/N=C/c1ccn(C2CCCC2)c1)c1cccc(O)c1.
What is the InChIKey of N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide?
The InChIKey is OIFCPTYLYXZPBA-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16-7-3-4-14(10-16)17(22)19-18-11-13-8-9-20(12-13)15-5-1-2-6-15/h3-4,7-12,15,21H,1-2,5-6H2,(H,19,22)/b18-11+.
What are the key properties of N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide?
N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide has a molecular weight of 297.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide is sourced from PubChem (CID 50854205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).