[(4-carboxycyclohexyl)-(2-hydroxyphenyl)methylidene]azanium

C14H18NO3+ — CID 147623731

IUPAC[(4-carboxycyclohexyl)-(2-hydroxyphenyl)methylidene]azanium
SMILES[NH2+]=C(c1ccccc1O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H17NO3/c15-13(11-3-1-2-4-12(11)16)9-5-7-10(8-6-9)14(17)18/h1-4,9-10,15-16H,5-8H2,(H,17,18)/p+1
InChIKeyGEJGNEMRDUAYCE-UHFFFAOYSA-O
MW248.30 g/mol
LogP0.83
Rot. Bonds3

About [(4-carboxycyclohexyl)-(2-hydroxyphenyl)methylidene]azanium

[(4-carboxycyclohexyl)-(2-hydroxyphenyl)methylidene]azanium (PubChem CID 147623731) has the molecular formula C14H18NO3+ and a molecular weight of 248.30 g/mol. Its IUPAC name is [(4-carboxycyclohexyl)-(2-hydroxyphenyl)methylidene]azanium.

Molecular Properties

Compound Name[(4-carboxycyclohexyl)-(2-hydroxyphenyl)methylidene]azanium
PubChem CID147623731
Molecular FormulaC14H18NO3+
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name[(4-carboxycyclohexyl)-(2-hydroxyphenyl)methylidene]azanium
SMILES[NH2+]=C(c1ccccc1O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H17NO3/c15-13(11-3-1-2-4-12(11)16)9-5-7-10(8-6-9)14(17)18/h1-4,9-10,15-16H,5-8H2,(H,17,18)/p+1
InChIKeyGEJGNEMRDUAYCE-UHFFFAOYSA-O
XLogP0.83
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

cyclopropyl-(2-hydroxyphenyl)methanone
CID 14638095
(Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 115023312
4-(2-propan-2-ylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722485
CID 174940439
CID 174940439
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
1-(2-carboxyphenyl)piperidine-4-carboxylic acid
CID 82537864
1-phenylphosphinane-4-carboxylic acid
CID 143517103
cyclopropanecarboxylic acid;S-phenylthiohydroxylamine
CID 145374417
N-[1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 3541547
CID 175577732
CID 175577732
cyclohexylcyclohexane;2-hydroxybenzoic acid
CID 70398658
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185

Frequently Asked Questions

What is the IUPAC name of [(4-carboxycyclohexyl)-(2-hydroxyphenyl)methylidene]azanium?
The IUPAC name of [(4-carboxycyclohexyl)-(2-hydroxyphenyl)methylidene]azanium (CID 147623731) is [(4-carboxycyclohexyl)-(2-hydroxyphenyl)methylidene]azanium.
What is the SMILES notation for [(4-carboxycyclohexyl)-(2-hydroxyphenyl)methylidene]azanium?
The canonical SMILES for [(4-carboxycyclohexyl)-(2-hydroxyphenyl)methylidene]azanium is [NH2+]=C(c1ccccc1O)C1CCC(C(=O)O)CC1.
What is the InChIKey of [(4-carboxycyclohexyl)-(2-hydroxyphenyl)methylidene]azanium?
The InChIKey is GEJGNEMRDUAYCE-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H17NO3/c15-13(11-3-1-2-4-12(11)16)9-5-7-10(8-6-9)14(17)18/h1-4,9-10,15-16H,5-8H2,(H,17,18)/p+1.
What are the key properties of [(4-carboxycyclohexyl)-(2-hydroxyphenyl)methylidene]azanium?
[(4-carboxycyclohexyl)-(2-hydroxyphenyl)methylidene]azanium has a molecular weight of 248.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-carboxycyclohexyl)-(2-hydroxyphenyl)methylidene]azanium is sourced from PubChem (CID 147623731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).