ethyl 2-cyano-3-(9-ethylcarbazol-3-yl)iminopropanoate

C20H19N3O2 — CID 91895903

IUPACethyl 2-cyano-3-(9-ethylcarbazol-3-yl)iminopropanoate
SMILESCCOC(=O)C(C#N)/C=N/c1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C20H19N3O2/c1-3-23-18-8-6-5-7-16(18)17-11-15(9-10-19(17)23)22-13-14(12-21)20(24)25-4-2/h5-11,13-14H,3-4H2,1-2H3/b22-13+
InChIKeyZCSFFBZXCQGHRG-LPYMAVHISA-N
MW333.39 g/mol
LogP4.22
Rot. Bonds5

About ethyl 2-cyano-3-(9-ethylcarbazol-3-yl)iminopropanoate

ethyl 2-cyano-3-(9-ethylcarbazol-3-yl)iminopropanoate (PubChem CID 91895903) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 2-cyano-3-(9-ethylcarbazol-3-yl)iminopropanoate.

Molecular Properties

Compound Nameethyl 2-cyano-3-(9-ethylcarbazol-3-yl)iminopropanoate
PubChem CID91895903
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Nameethyl 2-cyano-3-(9-ethylcarbazol-3-yl)iminopropanoate
SMILESCCOC(=O)C(C#N)/C=N/c1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C20H19N3O2/c1-3-23-18-8-6-5-7-16(18)17-11-15(9-10-19(17)23)22-13-14(12-21)20(24)25-4-2/h5-11,13-14H,3-4H2,1-2H3/b22-13+
InChIKeyZCSFFBZXCQGHRG-LPYMAVHISA-N
XLogP4.22
TPSA67.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethyl 2-cyano-3-(9-ethylcarbazol-3-yl)iminopropanoate with MolForge

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

Launch Full Analysis

Related Compounds

3-(9H-carbazol-9-yl)propanoic acid
CID 219301
3-Acetamido-9-ethylcarbazole
CID 249414
N-(9-Ethyl-9H-carbazol-3-yl)-3-morpholin-4-yl-propionamide
CID 22458813
N-(9-ethyl-9H-carbazol-3-yl)-2-methylpropanamide
CID 1717915
N-(9-ethylcarbazol-3-yl)-6-oxopyran-3-carboxamide
CID 1932508
ethyl (Z)-2-cyano-3-[(9-ethylcarbazol-3-yl)amino]prop-2-enoate
CID 16102642
N-(3-cyanophenyl)-N'-(9-ethyl-9H-carbazol-3-yl)-3-methylpentanediamide
CID 86729719
ethyl (3-cyano-1H-indol-1-yl)acetate
CID 951799
9-Carbethoxymethyl-3-(dimethylamino)-1,2,3,4-tetrahydrocarbazole hydrochloride
CID 12361856
2-(9H-Carbazol-9-yl)ethyl methacrylate
CID 1714882
(E)-3-(1-Benzyl-1H-indol-3-yl)-2-cyano-acrylic acid isobutyl ester
CID 1561895
ethyl (2Z)-2-cyano-3-(1-methylindol-3-yl)prop-2-enoate
CID 5412270

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-3-(9-ethylcarbazol-3-yl)iminopropanoate?
The IUPAC name of ethyl 2-cyano-3-(9-ethylcarbazol-3-yl)iminopropanoate (CID 91895903) is ethyl 2-cyano-3-(9-ethylcarbazol-3-yl)iminopropanoate.
What is the SMILES notation for ethyl 2-cyano-3-(9-ethylcarbazol-3-yl)iminopropanoate?
The canonical SMILES for ethyl 2-cyano-3-(9-ethylcarbazol-3-yl)iminopropanoate is CCOC(=O)C(C#N)/C=N/c1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of ethyl 2-cyano-3-(9-ethylcarbazol-3-yl)iminopropanoate?
The InChIKey is ZCSFFBZXCQGHRG-LPYMAVHISA-N. The full InChI is InChI=1S/C20H19N3O2/c1-3-23-18-8-6-5-7-16(18)17-11-15(9-10-19(17)23)22-13-14(12-21)20(24)25-4-2/h5-11,13-14H,3-4H2,1-2H3/b22-13+.
What are the key properties of ethyl 2-cyano-3-(9-ethylcarbazol-3-yl)iminopropanoate?
ethyl 2-cyano-3-(9-ethylcarbazol-3-yl)iminopropanoate has a molecular weight of 333.39 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-3-(9-ethylcarbazol-3-yl)iminopropanoate is sourced from PubChem (CID 91895903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).