(2-carbamoylphenyl)-[1-(2-oxochromen-3-yl)ethylidene]azanium iodide

C18H15IN2O3 — CID 135027915

IUPAC(2-carbamoylphenyl)-[1-(2-oxochromen-3-yl)ethylidene]azanium iodide
SMILESC/C(=[NH+]\c1ccccc1C(N)=O)c1cc2ccccc2oc1=O.[I-]
InChIInChI=1S/C18H14N2O3.HI/c1-11(20-15-8-4-3-7-13(15)17(19)21)14-10-12-6-2-5-9-16(12)23-18(14)22;/h2-10H,1H3,(H2,19,21);1H/b20-11+;
InChIKeyRHLLPMZYMORVMQ-DOELHFPHSA-N
MW434.23 g/mol
LogP-1.88
Rot. Bonds3

About (2-carbamoylphenyl)-[1-(2-oxochromen-3-yl)ethylidene]azanium iodide

(2-carbamoylphenyl)-[1-(2-oxochromen-3-yl)ethylidene]azanium iodide (PubChem CID 135027915) has the molecular formula C18H15IN2O3 and a molecular weight of 434.23 g/mol. Its IUPAC name is (2-carbamoylphenyl)-[1-(2-oxochromen-3-yl)ethylidene]azanium iodide.

Molecular Properties

Compound Name(2-carbamoylphenyl)-[1-(2-oxochromen-3-yl)ethylidene]azanium iodide
PubChem CID135027915
Molecular FormulaC18H15IN2O3
Molecular Weight434.23 g/mol
Exact Mass434.01
IUPAC Name(2-carbamoylphenyl)-[1-(2-oxochromen-3-yl)ethylidene]azanium iodide
SMILESC/C(=[NH+]\c1ccccc1C(N)=O)c1cc2ccccc2oc1=O.[I-]
InChIInChI=1S/C18H14N2O3.HI/c1-11(20-15-8-4-3-7-13(15)17(19)21)14-10-12-6-2-5-9-16(12)23-18(14)22;/h2-10H,1H3,(H2,19,21);1H/b20-11+;
InChIKeyRHLLPMZYMORVMQ-DOELHFPHSA-N
XLogP-1.88
TPSA87.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.23
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetamido-[amino-(2-oxochromen-3-yl)methylidene]azanium
CID 4583813
[(2-oxochromene-3-carbonyl)amino]thiourea
CID 14494824
2-oxochromene-3-carboxylic acid
CID 161011590
N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 34584567
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
(E)-3-amino-2-cyano-3-(2-oxochromen-3-yl)prop-2-enoic acid
CID 134122496
3-[C-methyl-N-[2-[1-(2-oxochromen-3-yl)ethylideneamino]ethyl]carbonimidoyl]chromen-2-one
CID 50741694
2-[1-(2-oxochromen-3-yl)ethylidene]propanedinitrile
CID 4737661
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
methyl 2-oxochromene-3-carboximidothioate
CID 86174846

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylphenyl)-[1-(2-oxochromen-3-yl)ethylidene]azanium iodide?
The IUPAC name of (2-carbamoylphenyl)-[1-(2-oxochromen-3-yl)ethylidene]azanium iodide (CID 135027915) is (2-carbamoylphenyl)-[1-(2-oxochromen-3-yl)ethylidene]azanium iodide.
What is the SMILES notation for (2-carbamoylphenyl)-[1-(2-oxochromen-3-yl)ethylidene]azanium iodide?
The canonical SMILES for (2-carbamoylphenyl)-[1-(2-oxochromen-3-yl)ethylidene]azanium iodide is C/C(=[NH+]\c1ccccc1C(N)=O)c1cc2ccccc2oc1=O.[I-].
What is the InChIKey of (2-carbamoylphenyl)-[1-(2-oxochromen-3-yl)ethylidene]azanium iodide?
The InChIKey is RHLLPMZYMORVMQ-DOELHFPHSA-N. The full InChI is InChI=1S/C18H14N2O3.HI/c1-11(20-15-8-4-3-7-13(15)17(19)21)14-10-12-6-2-5-9-16(12)23-18(14)22;/h2-10H,1H3,(H2,19,21);1H/b20-11+;.
What are the key properties of (2-carbamoylphenyl)-[1-(2-oxochromen-3-yl)ethylidene]azanium iodide?
(2-carbamoylphenyl)-[1-(2-oxochromen-3-yl)ethylidene]azanium iodide has a molecular weight of 434.23 g/mol, XLogP of -1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoylphenyl)-[1-(2-oxochromen-3-yl)ethylidene]azanium iodide is sourced from PubChem (CID 135027915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).