ethyl (NZ)-N-(3-cyano-5,7-dimethoxychromen-2-ylidene)carbamate

C15H14N2O5 — CID 12994880

IUPACethyl (NZ)-N-(3-cyano-5,7-dimethoxychromen-2-ylidene)carbamate
SMILESCCOC(=O)/N=c1\oc2cc(OC)cc(OC)c2cc1C#N
InChIInChI=1S/C15H14N2O5/c1-4-21-15(18)17-14-9(8-16)5-11-12(20-3)6-10(19-2)7-13(11)22-14/h5-7H,4H2,1-3H3/b17-14-
InChIKeyHUGNKYLNBZVPHK-VKAVYKQESA-N
MW302.29 g/mol
LogP2.38
Rot. Bonds3

About ethyl (NZ)-N-(3-cyano-5,7-dimethoxychromen-2-ylidene)carbamate

ethyl (NZ)-N-(3-cyano-5,7-dimethoxychromen-2-ylidene)carbamate (PubChem CID 12994880) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is ethyl (NZ)-N-(3-cyano-5,7-dimethoxychromen-2-ylidene)carbamate.

Molecular Properties

Compound Nameethyl (NZ)-N-(3-cyano-5,7-dimethoxychromen-2-ylidene)carbamate
PubChem CID12994880
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Nameethyl (NZ)-N-(3-cyano-5,7-dimethoxychromen-2-ylidene)carbamate
SMILESCCOC(=O)/N=c1\oc2cc(OC)cc(OC)c2cc1C#N
InChIInChI=1S/C15H14N2O5/c1-4-21-15(18)17-14-9(8-16)5-11-12(20-3)6-10(19-2)7-13(11)22-14/h5-7H,4H2,1-3H3/b17-14-
InChIKeyHUGNKYLNBZVPHK-VKAVYKQESA-N
XLogP2.38
TPSA94.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (NZ)-N-(3-cyano-5,7-dimethoxychromen-2-ylidene)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (NZ)-N-(3-cyano-5,7-dimethoxychromen-2-ylidene)carbamate?
The IUPAC name of ethyl (NZ)-N-(3-cyano-5,7-dimethoxychromen-2-ylidene)carbamate (CID 12994880) is ethyl (NZ)-N-(3-cyano-5,7-dimethoxychromen-2-ylidene)carbamate.
What is the SMILES notation for ethyl (NZ)-N-(3-cyano-5,7-dimethoxychromen-2-ylidene)carbamate?
The canonical SMILES for ethyl (NZ)-N-(3-cyano-5,7-dimethoxychromen-2-ylidene)carbamate is CCOC(=O)/N=c1\oc2cc(OC)cc(OC)c2cc1C#N.
What is the InChIKey of ethyl (NZ)-N-(3-cyano-5,7-dimethoxychromen-2-ylidene)carbamate?
The InChIKey is HUGNKYLNBZVPHK-VKAVYKQESA-N. The full InChI is InChI=1S/C15H14N2O5/c1-4-21-15(18)17-14-9(8-16)5-11-12(20-3)6-10(19-2)7-13(11)22-14/h5-7H,4H2,1-3H3/b17-14-.
What are the key properties of ethyl (NZ)-N-(3-cyano-5,7-dimethoxychromen-2-ylidene)carbamate?
ethyl (NZ)-N-(3-cyano-5,7-dimethoxychromen-2-ylidene)carbamate has a molecular weight of 302.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NZ)-N-(3-cyano-5,7-dimethoxychromen-2-ylidene)carbamate is sourced from PubChem (CID 12994880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).