N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

C15H18N2O3 — CID 135403161

IUPACN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(N/N=C/c1cccc(O)c1O)C1C2CCCCC21
InChIInChI=1S/C15H18N2O3/c18-12-7-3-4-9(14(12)19)8-16-17-15(20)13-10-5-1-2-6-11(10)13/h3-4,7-8,10-11,13,18-19H,1-2,5-6H2,(H,17,20)/b16-8+
InChIKeyBRFSDZPVUKJWDB-LZYBPNLTSA-N
MW274.32 g/mol
LogP1.98
Rot. Bonds3

About N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 135403161) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID135403161
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(N/N=C/c1cccc(O)c1O)C1C2CCCCC21
InChIInChI=1S/C15H18N2O3/c18-12-7-3-4-9(14(12)19)8-16-17-15(20)13-10-5-1-2-6-11(10)13/h3-4,7-8,10-11,13,18-19H,1-2,5-6H2,(H,17,20)/b16-8+
InChIKeyBRFSDZPVUKJWDB-LZYBPNLTSA-N
XLogP1.98
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135504408
N-[(2-hydroxyphenyl)methylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
CID 136914428
N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2693831
(1R,6S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 5406214
(1R,6R)-N-[(2-nitrophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 129431796
N-[(2,6-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 5038735
N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
CID 5041852
N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135646971
(1R,6S)-N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135733521
(1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 129439417
(1R,6R)-N-[(E)-(3-chlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 98048536
(4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 56691529

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (CID 135403161) is N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is O=C(N/N=C/c1cccc(O)c1O)C1C2CCCCC21.
What is the InChIKey of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is BRFSDZPVUKJWDB-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-12-7-3-4-9(14(12)19)8-16-17-15(20)13-10-5-1-2-6-11(10)13/h3-4,7-8,10-11,13,18-19H,1-2,5-6H2,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 135403161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).