ethyl (NE)-N-(3-cyano-6-methoxychromen-2-ylidene)carbamate

C14H12N2O4 — CID 11346307

IUPACethyl (NE)-N-(3-cyano-6-methoxychromen-2-ylidene)carbamate
SMILESCCOC(=O)/N=c1/oc2ccc(OC)cc2cc1C#N
InChIInChI=1S/C14H12N2O4/c1-3-19-14(17)16-13-10(8-15)6-9-7-11(18-2)4-5-12(9)20-13/h4-7H,3H2,1-2H3/b16-13+
InChIKeyYHKKDFNLBXZVNF-DTQAZKPQSA-N
MW272.26 g/mol
LogP2.37
Rot. Bonds2

About ethyl (NE)-N-(3-cyano-6-methoxychromen-2-ylidene)carbamate

ethyl (NE)-N-(3-cyano-6-methoxychromen-2-ylidene)carbamate (PubChem CID 11346307) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is ethyl (NE)-N-(3-cyano-6-methoxychromen-2-ylidene)carbamate.

Molecular Properties

Compound Nameethyl (NE)-N-(3-cyano-6-methoxychromen-2-ylidene)carbamate
PubChem CID11346307
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Nameethyl (NE)-N-(3-cyano-6-methoxychromen-2-ylidene)carbamate
SMILESCCOC(=O)/N=c1/oc2ccc(OC)cc2cc1C#N
InChIInChI=1S/C14H12N2O4/c1-3-19-14(17)16-13-10(8-15)6-9-7-11(18-2)4-5-12(9)20-13/h4-7H,3H2,1-2H3/b16-13+
InChIKeyYHKKDFNLBXZVNF-DTQAZKPQSA-N
XLogP2.37
TPSA84.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (NZ)-N-(3-cyano-5,7-dimethoxychromen-2-ylidene)carbamate
CID 12994880
ethyl 2-(2-cyano-5-methoxyanilino)acetate
CID 81299411
[(2S)-1-(5-methoxy-1-benzofuran-2-yl)-1-oxopropan-2-yl] methanesulfonate
CID 101192784
methyl 2-(2-cyano-4-methoxyphenyl)acetate
CID 67407512
ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate
CID 3124075
(2S)-3-(4-cyanophenyl)-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70652438
methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 81296575
2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide
CID 4133031
6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3576903
6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 4555471
ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate
CID 135011770
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594

Frequently Asked Questions

What is the IUPAC name of ethyl (NE)-N-(3-cyano-6-methoxychromen-2-ylidene)carbamate?
The IUPAC name of ethyl (NE)-N-(3-cyano-6-methoxychromen-2-ylidene)carbamate (CID 11346307) is ethyl (NE)-N-(3-cyano-6-methoxychromen-2-ylidene)carbamate.
What is the SMILES notation for ethyl (NE)-N-(3-cyano-6-methoxychromen-2-ylidene)carbamate?
The canonical SMILES for ethyl (NE)-N-(3-cyano-6-methoxychromen-2-ylidene)carbamate is CCOC(=O)/N=c1/oc2ccc(OC)cc2cc1C#N.
What is the InChIKey of ethyl (NE)-N-(3-cyano-6-methoxychromen-2-ylidene)carbamate?
The InChIKey is YHKKDFNLBXZVNF-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-3-19-14(17)16-13-10(8-15)6-9-7-11(18-2)4-5-12(9)20-13/h4-7H,3H2,1-2H3/b16-13+.
What are the key properties of ethyl (NE)-N-(3-cyano-6-methoxychromen-2-ylidene)carbamate?
ethyl (NE)-N-(3-cyano-6-methoxychromen-2-ylidene)carbamate has a molecular weight of 272.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NE)-N-(3-cyano-6-methoxychromen-2-ylidene)carbamate is sourced from PubChem (CID 11346307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).