N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide

C12H13NO3 — CID 103890634

IUPACN-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide
SMILESO=C(NC1CC=CC1)c1c(O)cccc1O
InChIInChI=1S/C12H13NO3/c14-9-6-3-7-10(15)11(9)12(16)13-8-4-1-2-5-8/h1-3,6-8,14-15H,4-5H2,(H,13,16)
InChIKeyZLBUKHKGOKOIHK-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.55
Rot. Bonds2

About N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide

N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide (PubChem CID 103890634) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide
PubChem CID103890634
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC NameN-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide
SMILESO=C(NC1CC=CC1)c1c(O)cccc1O
InChIInChI=1S/C12H13NO3/c14-9-6-3-7-10(15)11(9)12(16)13-8-4-1-2-5-8/h1-3,6-8,14-15H,4-5H2,(H,13,16)
InChIKeyZLBUKHKGOKOIHK-UHFFFAOYSA-N
XLogP1.55
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107688102
cis-(1R,3S)-3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106319993
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dihydroxybenzamide
CID 107690219
N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide
CID 103749000
N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide
CID 115696804
N-(azepan-4-yl)-2,6-dihydroxybenzamide
CID 107690520
N-cyclopent-3-en-1-yl-4-hydroxy-3-methylbenzamide
CID 103957515
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide
CID 115696810
N-cyclopent-3-en-1-yl-2-iodobenzamide
CID 115696698
N-cyclopent-3-en-1-yl-2-sulfanylbenzamide
CID 107035267
N-cyclopent-3-en-1-yl-1-hydroxynaphthalene-2-carboxamide
CID 115696816

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide?
The IUPAC name of N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide (CID 103890634) is N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide.
What is the SMILES notation for N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide?
The canonical SMILES for N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide is O=C(NC1CC=CC1)c1c(O)cccc1O.
What is the InChIKey of N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide?
The InChIKey is ZLBUKHKGOKOIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-9-6-3-7-10(15)11(9)12(16)13-8-4-1-2-5-8/h1-3,6-8,14-15H,4-5H2,(H,13,16).
What are the key properties of N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide?
N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide has a molecular weight of 219.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide is sourced from PubChem (CID 103890634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).