ethyl 2-amino-6-cyanobenzoate

C10H10N2O2 — CID 91873808

IUPACethyl 2-amino-6-cyanobenzoate
SMILESCCOC(=O)c1c(N)cccc1C#N
InChIInChI=1S/C10H10N2O2/c1-2-14-10(13)9-7(6-11)4-3-5-8(9)12/h3-5H,2,12H2,1H3
InChIKeyCDNCAMOSCWWICM-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.32
Rot. Bonds2

About ethyl 2-amino-6-cyanobenzoate

ethyl 2-amino-6-cyanobenzoate (PubChem CID 91873808) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethyl 2-amino-6-cyanobenzoate.

Molecular Properties

Compound Nameethyl 2-amino-6-cyanobenzoate
PubChem CID91873808
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Nameethyl 2-amino-6-cyanobenzoate
SMILESCCOC(=O)c1c(N)cccc1C#N
InChIInChI=1S/C10H10N2O2/c1-2-14-10(13)9-7(6-11)4-3-5-8(9)12/h3-5H,2,12H2,1H3
InChIKeyCDNCAMOSCWWICM-UHFFFAOYSA-N
XLogP1.32
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2,6-diamino-3-cyanobenzoate
CID 134651442
2-O-ethyl 1-O-methyl 3-cyanobenzene-1,2-dicarboxylate
CID 91882348
ethyl 2-amino-6-hydroxybenzoate
CID 70700315
ethyl 2-cyano-6-(3-oxopropyl)benzoate
CID 134643980
ethyl 2-(3-bromopropyl)-6-cyanobenzoate
CID 134643074
3-amino-2-ethoxycarbonylbenzoic acid
CID 91873809
ethyl 6-cyano-2,3-diiodobenzoate
CID 134644151
ethyl 3-(2-amino-6-cyanophenyl)propanoate
CID 174437969
ethyl 2-(2-bromopropanoyl)-3-cyanobenzoate
CID 134641780
(2-cyanophenyl)methyl 2-amino-6-methoxybenzoate
CID 81396523
ethyl 6-cyano-2-hydroxy-3-(hydroxymethyl)benzoate
CID 134644813
ethyl 6-cyano-3-fluoro-2-iodobenzoate
CID 131531974

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-cyanobenzoate?
The IUPAC name of ethyl 2-amino-6-cyanobenzoate (CID 91873808) is ethyl 2-amino-6-cyanobenzoate.
What is the SMILES notation for ethyl 2-amino-6-cyanobenzoate?
The canonical SMILES for ethyl 2-amino-6-cyanobenzoate is CCOC(=O)c1c(N)cccc1C#N.
What is the InChIKey of ethyl 2-amino-6-cyanobenzoate?
The InChIKey is CDNCAMOSCWWICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-14-10(13)9-7(6-11)4-3-5-8(9)12/h3-5H,2,12H2,1H3.
What are the key properties of ethyl 2-amino-6-cyanobenzoate?
ethyl 2-amino-6-cyanobenzoate has a molecular weight of 190.20 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-cyanobenzoate is sourced from PubChem (CID 91873808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).