2-cyano-N-[(E)-1-(7-hydroxy-2-oxochromen-3-yl)ethylideneamino]acetamide

C14H11N3O4 — CID 135433194

IUPAC2-cyano-N-[(E)-1-(7-hydroxy-2-oxochromen-3-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CC#N)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C14H11N3O4/c1-8(16-17-13(19)4-5-15)11-6-9-2-3-10(18)7-12(9)21-14(11)20/h2-3,6-7,18H,4H2,1H3,(H,17,19)/b16-8+
InChIKeyHNDALWSMSPYTAU-LZYBPNLTSA-N
MW285.26 g/mol
LogP1.25
Rot. Bonds3

About 2-cyano-N-[(E)-1-(7-hydroxy-2-oxochromen-3-yl)ethylideneamino]acetamide

2-cyano-N-[(E)-1-(7-hydroxy-2-oxochromen-3-yl)ethylideneamino]acetamide (PubChem CID 135433194) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-cyano-N-[(E)-1-(7-hydroxy-2-oxochromen-3-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(E)-1-(7-hydroxy-2-oxochromen-3-yl)ethylideneamino]acetamide
PubChem CID135433194
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name2-cyano-N-[(E)-1-(7-hydroxy-2-oxochromen-3-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CC#N)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C14H11N3O4/c1-8(16-17-13(19)4-5-15)11-6-9-2-3-10(18)7-12(9)21-14(11)20/h2-3,6-7,18H,4H2,1H3,(H,17,19)/b16-8+
InChIKeyHNDALWSMSPYTAU-LZYBPNLTSA-N
XLogP1.25
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', '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

2-cyano-N'-[(1E)-1-(2-oxo-2H-chromen-3-yl)ethylidene]acetohydrazide
CID 9632981
(E)-2-cyano-N-[(E)-1-(8-methoxy-2-oxochromen-3-yl)ethylideneamino]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 134131055
(2Z)-2-[1-(7-hydroxy-2-oxo-2H-chromen-3-yl)ethylidene]hydrazinecarbothioamide
CID 135656247
(E)-[1-(6-Hexyl-7-hydroxy-2-oxochromen-3-YL)ethylidene]aminothiourea
CID 135533094
(E)-3-(4-bromophenyl)-2-cyano-N-[(E)-1-(4,7-dihydroxy-2-oxochromen-3-yl)ethylideneamino]prop-2-enamide
CID 155524397
(E)-3-(2-chlorophenyl)-2-cyano-N-[(E)-1-(4,7-dihydroxy-2-oxochromen-3-yl)ethylideneamino]prop-2-enamide
CID 155533292
(E)-2-cyano-N-[(E)-1-(4,7-dihydroxy-2-oxochromen-3-yl)ethylideneamino]-3-(4-hydroxyphenyl)prop-2-enamide
CID 155552118
(E)-2-cyano-N-[(E)-1-(4,7-dihydroxy-2-oxochromen-3-yl)ethylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
CID 155562874
[(E)-1-(7-hydroxy-2-oxochromen-8-yl)ethylideneamino]thiourea
CID 135879374
(E)-2-cyano-N-[(E)-1-(4,7-dihydroxy-2-oxochromen-3-yl)ethylideneamino]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 155512793
(E)-2-cyano-N-[(E)-1-(4,7-dihydroxy-2-oxochromen-3-yl)ethylideneamino]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 155530467
(E)-3-(3-bromophenyl)-2-cyano-N-[(E)-1-(4,7-dihydroxy-2-oxochromen-3-yl)ethylideneamino]prop-2-enamide
CID 155551171

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(E)-1-(7-hydroxy-2-oxochromen-3-yl)ethylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(E)-1-(7-hydroxy-2-oxochromen-3-yl)ethylideneamino]acetamide (CID 135433194) is 2-cyano-N-[(E)-1-(7-hydroxy-2-oxochromen-3-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(E)-1-(7-hydroxy-2-oxochromen-3-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(E)-1-(7-hydroxy-2-oxochromen-3-yl)ethylideneamino]acetamide is C/C(=N\NC(=O)CC#N)c1cc2ccc(O)cc2oc1=O.
What is the InChIKey of 2-cyano-N-[(E)-1-(7-hydroxy-2-oxochromen-3-yl)ethylideneamino]acetamide?
The InChIKey is HNDALWSMSPYTAU-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11N3O4/c1-8(16-17-13(19)4-5-15)11-6-9-2-3-10(18)7-12(9)21-14(11)20/h2-3,6-7,18H,4H2,1H3,(H,17,19)/b16-8+.
What are the key properties of 2-cyano-N-[(E)-1-(7-hydroxy-2-oxochromen-3-yl)ethylideneamino]acetamide?
2-cyano-N-[(E)-1-(7-hydroxy-2-oxochromen-3-yl)ethylideneamino]acetamide has a molecular weight of 285.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(E)-1-(7-hydroxy-2-oxochromen-3-yl)ethylideneamino]acetamide is sourced from PubChem (CID 135433194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).