N-(cyclopentylideneamino)-2,4-dihydroxybenzamide

C12H14N2O3 — CID 17374672

IUPACN-(cyclopentylideneamino)-2,4-dihydroxybenzamide
SMILESO=C(NN=C1CCCC1)c1ccc(O)cc1O
InChIInChI=1S/C12H14N2O3/c15-9-5-6-10(11(16)7-9)12(17)14-13-8-3-1-2-4-8/h5-7,15-16H,1-4H2,(H,14,17)
InChIKeyZTQWVYRPOZNDKA-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.76
Rot. Bonds2

About N-(cyclopentylideneamino)-2,4-dihydroxybenzamide

N-(cyclopentylideneamino)-2,4-dihydroxybenzamide (PubChem CID 17374672) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-2,4-dihydroxybenzamide
PubChem CID17374672
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-(cyclopentylideneamino)-2,4-dihydroxybenzamide
SMILESO=C(NN=C1CCCC1)c1ccc(O)cc1O
InChIInChI=1S/C12H14N2O3/c15-9-5-6-10(11(16)7-9)12(17)14-13-8-3-1-2-4-8/h5-7,15-16H,1-4H2,(H,14,17)
InChIKeyZTQWVYRPOZNDKA-UHFFFAOYSA-N
XLogP1.76
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.76
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-2,4-dihydroxybenzamide?
The IUPAC name of N-(cyclopentylideneamino)-2,4-dihydroxybenzamide (CID 17374672) is N-(cyclopentylideneamino)-2,4-dihydroxybenzamide.
What is the SMILES notation for N-(cyclopentylideneamino)-2,4-dihydroxybenzamide?
The canonical SMILES for N-(cyclopentylideneamino)-2,4-dihydroxybenzamide is O=C(NN=C1CCCC1)c1ccc(O)cc1O.
What is the InChIKey of N-(cyclopentylideneamino)-2,4-dihydroxybenzamide?
The InChIKey is ZTQWVYRPOZNDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-9-5-6-10(11(16)7-9)12(17)14-13-8-3-1-2-4-8/h5-7,15-16H,1-4H2,(H,14,17).
What are the key properties of N-(cyclopentylideneamino)-2,4-dihydroxybenzamide?
N-(cyclopentylideneamino)-2,4-dihydroxybenzamide has a molecular weight of 234.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-2,4-dihydroxybenzamide is sourced from PubChem (CID 17374672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).