N-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide

C17H13N3O2 — CID 5453496

IUPACN-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccccc2cc1C(=O)N/N=C\c1ccccc1
InChIInChI=1S/C17H13N3O2/c18-16-14(10-13-8-4-5-9-15(13)22-16)17(21)20-19-11-12-6-2-1-3-7-12/h1-11,18H,(H,20,21)/b18-16-,19-11-
InChIKeyOPHPDCSXLUQDSP-WHBZEJOESA-N
MW291.31 g/mol
LogP2.68
Rot. Bonds3

About N-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide

N-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide (PubChem CID 5453496) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide
PubChem CID5453496
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC NameN-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccccc2cc1C(=O)N/N=C\c1ccccc1
InChIInChI=1S/C17H13N3O2/c18-16-14(10-13-8-4-5-9-15(13)22-16)17(21)20-19-11-12-6-2-1-3-7-12/h1-11,18H,(H,20,21)/b18-16-,19-11-
InChIKeyOPHPDCSXLUQDSP-WHBZEJOESA-N
XLogP2.68
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
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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Related Compounds

N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-iminobenzo[f]chromene-2-carboxamide
CID 2311822
methyl 2-iminochromene-3-carboxylate
CID 12862902
4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid
CID 5427120
N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 45109193
[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6104350
N-(benzylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 4115727
2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide
CID 19288940
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide
CID 96889885
N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5411313
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 135457356
N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 11995312

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide?
The IUPAC name of N-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide (CID 5453496) is N-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide.
What is the SMILES notation for N-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide?
The canonical SMILES for N-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide is [H]/N=c1\oc2ccccc2cc1C(=O)N/N=C\c1ccccc1.
What is the InChIKey of N-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide?
The InChIKey is OPHPDCSXLUQDSP-WHBZEJOESA-N. The full InChI is InChI=1S/C17H13N3O2/c18-16-14(10-13-8-4-5-9-15(13)22-16)17(21)20-19-11-12-6-2-1-3-7-12/h1-11,18H,(H,20,21)/b18-16-,19-11-.
What are the key properties of N-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide?
N-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide is sourced from PubChem (CID 5453496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).