N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide

C15H18N2O2 — CID 137253718

IUPACN-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide
SMILESCc1cccc(/C=N/NC(=O)C2CC23CCC3)c1O
InChIInChI=1S/C15H18N2O2/c1-10-4-2-5-11(13(10)18)9-16-17-14(19)12-8-15(12)6-3-7-15/h2,4-5,9,12,18H,3,6-8H2,1H3,(H,17,19)/b16-9+
InChIKeyLSBHHRLSXBDOQS-CXUHLZMHSA-N
MW258.32 g/mol
LogP2.34
Rot. Bonds3

About N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide

N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide (PubChem CID 137253718) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide
PubChem CID137253718
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide
SMILESCc1cccc(/C=N/NC(=O)C2CC23CCC3)c1O
InChIInChI=1S/C15H18N2O2/c1-10-4-2-5-11(13(10)18)9-16-17-14(19)12-8-15(12)6-3-7-15/h2,4-5,9,12,18H,3,6-8H2,1H3,(H,17,19)/b16-9+
InChIKeyLSBHHRLSXBDOQS-CXUHLZMHSA-N
XLogP2.34
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide
CID 2832984
methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate
CID 135578391
N-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide
CID 2828440
(2R)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]spiro[2.3]hexane-2-carboxamide
CID 5401726
4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide
CID 135458900
N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 135550898
N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2693831
N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide
CID 6907933
2-hydroxy-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135533066
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135403161
N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135502640
4-[[(2-hydroxy-3-methylphenyl)methylideneamino]carbamothioylamino]benzoic acid
CID 136601679

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide (CID 137253718) is N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide is Cc1cccc(/C=N/NC(=O)C2CC23CCC3)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide?
The InChIKey is LSBHHRLSXBDOQS-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-4-2-5-11(13(10)18)9-16-17-14(19)12-8-15(12)6-3-7-15/h2,4-5,9,12,18H,3,6-8H2,1H3,(H,17,19)/b16-9+.
What are the key properties of N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide?
N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 137253718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).