ethyl (2Z)-2-cyano-2-(2-methylchromen-4-ylidene)acetate

C15H13NO3 — CID 177497164

IUPACethyl (2Z)-2-cyano-2-(2-methylchromen-4-ylidene)acetate
SMILESCCOC(=O)/C(C#N)=C1/C=C(C)Oc2ccccc21
InChIInChI=1S/C15H13NO3/c1-3-18-15(17)13(9-16)12-8-10(2)19-14-7-5-4-6-11(12)14/h4-8H,3H2,1-2H3/b13-12-
InChIKeyXMVKPVOTEUDJMQ-SEYXRHQNSA-N
MW255.27 g/mol
LogP2.82
Rot. Bonds2

About ethyl (2Z)-2-cyano-2-(2-methylchromen-4-ylidene)acetate

ethyl (2Z)-2-cyano-2-(2-methylchromen-4-ylidene)acetate (PubChem CID 177497164) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is ethyl (2Z)-2-cyano-2-(2-methylchromen-4-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-cyano-2-(2-methylchromen-4-ylidene)acetate
PubChem CID177497164
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Nameethyl (2Z)-2-cyano-2-(2-methylchromen-4-ylidene)acetate
SMILESCCOC(=O)/C(C#N)=C1/C=C(C)Oc2ccccc21
InChIInChI=1S/C15H13NO3/c1-3-18-15(17)13(9-16)12-8-10(2)19-14-7-5-4-6-11(12)14/h4-8H,3H2,1-2H3/b13-12-
InChIKeyXMVKPVOTEUDJMQ-SEYXRHQNSA-N
XLogP2.82
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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ethyl 2-chromen-2-ylidene-2-cyanoacetate
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ethyl (2Z)-2-chromen-2-ylidene-2-cyanoacetate
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ethyl (2E)-2-cyano-2-[2-(diethylamino)-7-methoxychromen-4-ylidene]acetate
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ethyl 2-cyano-2-(5,7-dimethyl-2-phenylchromen-4-ylidene)acetate
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CID 11130541
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ethyl 2-cyano-2-(1H-quinazolin-4-ylidene)acetate
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ethyl 2-cyano-2-[4-(2-hydroxyphenyl)-1H-pyrimidin-6-ylidene]acetate
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ethyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate
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ethyl (2E)-2-cyano-2-[7-(diethylamino)-4-methylchromen-2-ylidene]acetate
CID 22892551
ethyl 2-cyano-2-(3,4-dihydro-1H-naphthalen-2-ylidene)acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-cyano-2-(2-methylchromen-4-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-cyano-2-(2-methylchromen-4-ylidene)acetate (CID 177497164) is ethyl (2Z)-2-cyano-2-(2-methylchromen-4-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-cyano-2-(2-methylchromen-4-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-cyano-2-(2-methylchromen-4-ylidene)acetate is CCOC(=O)/C(C#N)=C1/C=C(C)Oc2ccccc21.
What is the InChIKey of ethyl (2Z)-2-cyano-2-(2-methylchromen-4-ylidene)acetate?
The InChIKey is XMVKPVOTEUDJMQ-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H13NO3/c1-3-18-15(17)13(9-16)12-8-10(2)19-14-7-5-4-6-11(12)14/h4-8H,3H2,1-2H3/b13-12-.
What are the key properties of ethyl (2Z)-2-cyano-2-(2-methylchromen-4-ylidene)acetate?
ethyl (2Z)-2-cyano-2-(2-methylchromen-4-ylidene)acetate has a molecular weight of 255.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-cyano-2-(2-methylchromen-4-ylidene)acetate is sourced from PubChem (CID 177497164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).