2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile

C18H13N3 — CID 88823200

IUPAC2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile
SMILESCCn1c2ccccc2c2ccc(C=C(C#N)C#N)cc21
InChIInChI=1S/C18H13N3/c1-2-21-17-6-4-3-5-15(17)16-8-7-13(10-18(16)21)9-14(11-19)12-20/h3-10H,2H2,1H3
InChIKeyUIJXWITYZURHEP-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.24
Rot. Bonds2

About 2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile

2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile (PubChem CID 88823200) has the molecular formula C18H13N3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile
PubChem CID88823200
Molecular FormulaC18H13N3
Molecular Weight271.32 g/mol
Exact Mass271.11
IUPAC Name2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile
SMILESCCn1c2ccccc2c2ccc(C=C(C#N)C#N)cc21
InChIInChI=1S/C18H13N3/c1-2-21-17-6-4-3-5-15(17)16-8-7-13(10-18(16)21)9-14(11-19)12-20/h3-10H,2H2,1H3
InChIKeyUIJXWITYZURHEP-UHFFFAOYSA-N
XLogP4.24
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile 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

2-[(9-hexylcarbazol-3-yl)methylidene]propanedinitrile
CID 102047016
(E)-2-cyano-3-(9-ethylcarbazol-3-yl)prop-2-enethioamide
CID 101167613
(3E)-4-(9-ethylcarbazol-3-yl)buta-1,3-diene-1,1,2-tricarbonitrile
CID 171377802
(E)-2-(benzenesulfonyl)-3-(9-ethylcarbazol-3-yl)prop-2-enenitrile
CID 2208030
2-[(9-naphthalen-1-ylcarbazol-3-yl)methylidene]propanedinitrile
CID 42640668
2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine
CID 79322615
2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile
CID 102262296
9-ethyl-2-methylcarbazole
CID 19788789
2-[[4-[3-[9-[4-(2,2-dicyanoethenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methylidene]propanedinitrile
CID 122397908
3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid
CID 79736980
1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide
CID 163181667
9-ethyl-7-(2-methylprop-1-enyl)-N,N-diphenylcarbazol-2-amine
CID 168797319

Frequently Asked Questions

What is the IUPAC name of 2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile?
The IUPAC name of 2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile (CID 88823200) is 2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile?
The canonical SMILES for 2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile is CCn1c2ccccc2c2ccc(C=C(C#N)C#N)cc21.
What is the InChIKey of 2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile?
The InChIKey is UIJXWITYZURHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3/c1-2-21-17-6-4-3-5-15(17)16-8-7-13(10-18(16)21)9-14(11-19)12-20/h3-10H,2H2,1H3.
What are the key properties of 2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile?
2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile has a molecular weight of 271.32 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile is sourced from PubChem (CID 88823200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).