(Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid

C18H14N2O2 — CID 175282763

IUPAC(Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid
SMILESCCn1c2ccccc2c2cc(/C=C\C(=O)O)c(C#N)cc21
InChIInChI=1S/C18H14N2O2/c1-2-20-16-6-4-3-5-14(16)15-9-12(7-8-18(21)22)13(11-19)10-17(15)20/h3-10H,2H2,1H3,(H,21,22)/b8-7-
InChIKeyWFARHRQTRHCNQI-FPLPWBNLSA-N
MW290.32 g/mol
LogP3.78
Rot. Bonds3

About (Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid

(Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid (PubChem CID 175282763) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is (Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid
PubChem CID175282763
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name(Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid
SMILESCCn1c2ccccc2c2cc(/C=C\C(=O)O)c(C#N)cc21
InChIInChI=1S/C18H14N2O2/c1-2-20-16-6-4-3-5-14(16)15-9-12(7-8-18(21)22)13(11-19)10-17(15)20/h3-10H,2H2,1H3,(H,21,22)/b8-7-
InChIKeyWFARHRQTRHCNQI-FPLPWBNLSA-N
XLogP3.78
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile
CID 102262296
9-ethylcarbazole-2,3-dicarbaldehyde
CID 174480322
9-ethylcarbazole-3-carboxylic acid
CID 4912869
9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
CID 102220131
2,5-bis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 139204592
(3E)-4-(9-ethylcarbazol-3-yl)buta-1,3-diene-1,1,2-tricarbonitrile
CID 171377802
[[(1E,4E)-1,5-bis(9-ethylcarbazol-3-yl)penta-1,4-dien-3-ylidene]amino] benzoate
CID 156769873
acetic acid;9-ethylcarbazol-3-amine
CID 68649355
3-(2-cyano-4-methylphenyl)prop-2-enoic acid
CID 67162304
2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile
CID 88823200
9-ethylcarbazole-3-carboxylate
CID 7148416
[4-[bis(9-ethylcarbazol-3-yl)amino]phenyl]-phenylmethanone
CID 177399395

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid (CID 175282763) is (Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid is CCn1c2ccccc2c2cc(/C=C\C(=O)O)c(C#N)cc21.
What is the InChIKey of (Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid?
The InChIKey is WFARHRQTRHCNQI-FPLPWBNLSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-2-20-16-6-4-3-5-14(16)15-9-12(7-8-18(21)22)13(11-19)10-17(15)20/h3-10H,2H2,1H3,(H,21,22)/b8-7-.
What are the key properties of (Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid?
(Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid has a molecular weight of 290.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid is sourced from PubChem (CID 175282763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).