2-[9-(2-chloroethyl)carbazol-3-yl]ethene-1,1,2-tricarbonitrile

C19H11ClN4 — CID 18627190

IUPAC2-[9-(2-chloroethyl)carbazol-3-yl]ethene-1,1,2-tricarbonitrile
SMILESN#CC(C#N)=C(C#N)c1ccc2c(c1)c1ccccc1n2CCCl
InChIInChI=1S/C19H11ClN4/c20-7-8-24-18-4-2-1-3-15(18)16-9-13(5-6-19(16)24)17(12-23)14(10-21)11-22/h1-6,9H,7-8H2
InChIKeyGRYLWWDAIIBZCI-UHFFFAOYSA-N
MW330.78 g/mol
LogP4.36
Rot. Bonds3

About 2-[9-(2-chloroethyl)carbazol-3-yl]ethene-1,1,2-tricarbonitrile

2-[9-(2-chloroethyl)carbazol-3-yl]ethene-1,1,2-tricarbonitrile (PubChem CID 18627190) has the molecular formula C19H11ClN4 and a molecular weight of 330.78 g/mol. Its IUPAC name is 2-[9-(2-chloroethyl)carbazol-3-yl]ethene-1,1,2-tricarbonitrile.

Molecular Properties

Compound Name2-[9-(2-chloroethyl)carbazol-3-yl]ethene-1,1,2-tricarbonitrile
PubChem CID18627190
Molecular FormulaC19H11ClN4
Molecular Weight330.78 g/mol
Exact Mass330.07
IUPAC Name2-[9-(2-chloroethyl)carbazol-3-yl]ethene-1,1,2-tricarbonitrile
SMILESN#CC(C#N)=C(C#N)c1ccc2c(c1)c1ccccc1n2CCCl
InChIInChI=1S/C19H11ClN4/c20-7-8-24-18-4-2-1-3-15(18)16-9-13(5-6-19(16)24)17(12-23)14(10-21)11-22/h1-6,9H,7-8H2
InChIKeyGRYLWWDAIIBZCI-UHFFFAOYSA-N
XLogP4.36
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

Avn-101
CID 42631003
N-ethyl carbazole
CID 6836
N-Vinylcarbazole
CID 15143
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
CID 4722579
N-Methylcarbazole
CID 15142
9H-Carbazole, 9-(1-methylethyl)-
CID 73873
9-(prop-2-yn-1-yl)-9H-carbazole
CID 284443
N-Butylcarbazole
CID 73872
9-Propyl-9H-carbazole
CID 289657
Fauc-299
CID 9995904
2,3,4,5-tetrahydro-2,8-dimethyl-5-(4-methylphenethyl)-1H-pyrido[4,3-b]indole
CID 44126269
2,8-Dimethyl-5-((Z)-styryl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 46224879

Frequently Asked Questions

What is the IUPAC name of 2-[9-(2-chloroethyl)carbazol-3-yl]ethene-1,1,2-tricarbonitrile?
The IUPAC name of 2-[9-(2-chloroethyl)carbazol-3-yl]ethene-1,1,2-tricarbonitrile (CID 18627190) is 2-[9-(2-chloroethyl)carbazol-3-yl]ethene-1,1,2-tricarbonitrile.
What is the SMILES notation for 2-[9-(2-chloroethyl)carbazol-3-yl]ethene-1,1,2-tricarbonitrile?
The canonical SMILES for 2-[9-(2-chloroethyl)carbazol-3-yl]ethene-1,1,2-tricarbonitrile is N#CC(C#N)=C(C#N)c1ccc2c(c1)c1ccccc1n2CCCl.
What is the InChIKey of 2-[9-(2-chloroethyl)carbazol-3-yl]ethene-1,1,2-tricarbonitrile?
The InChIKey is GRYLWWDAIIBZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4/c20-7-8-24-18-4-2-1-3-15(18)16-9-13(5-6-19(16)24)17(12-23)14(10-21)11-22/h1-6,9H,7-8H2.
What are the key properties of 2-[9-(2-chloroethyl)carbazol-3-yl]ethene-1,1,2-tricarbonitrile?
2-[9-(2-chloroethyl)carbazol-3-yl]ethene-1,1,2-tricarbonitrile has a molecular weight of 330.78 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(2-chloroethyl)carbazol-3-yl]ethene-1,1,2-tricarbonitrile is sourced from PubChem (CID 18627190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).