2-methyl-1-phenylindolizine-3,7-dicarbonitrile

C17H11N3 — CID 11161205

IUPAC2-methyl-1-phenylindolizine-3,7-dicarbonitrile
SMILESCc1c(-c2ccccc2)c2cc(C#N)ccn2c1C#N
InChIInChI=1S/C17H11N3/c1-12-16(11-19)20-8-7-13(10-18)9-15(20)17(12)14-5-3-2-4-6-14/h2-9H,1H3
InChIKeyGOAHHSPWXKHGFU-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.66
Rot. Bonds1

About 2-methyl-1-phenylindolizine-3,7-dicarbonitrile

2-methyl-1-phenylindolizine-3,7-dicarbonitrile (PubChem CID 11161205) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-methyl-1-phenylindolizine-3,7-dicarbonitrile.

Molecular Properties

Compound Name2-methyl-1-phenylindolizine-3,7-dicarbonitrile
PubChem CID11161205
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name2-methyl-1-phenylindolizine-3,7-dicarbonitrile
SMILESCc1c(-c2ccccc2)c2cc(C#N)ccn2c1C#N
InChIInChI=1S/C17H11N3/c1-12-16(11-19)20-8-7-13(10-18)9-15(20)17(12)14-5-3-2-4-6-14/h2-9H,1H3
InChIKeyGOAHHSPWXKHGFU-UHFFFAOYSA-N
XLogP3.66
TPSA51.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,11-dimethyl-10-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-4,16-dicarbonitrile
CID 164528728
10-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-4,16-dicarbonitrile
CID 164529050
(7-cyano-2,3-diphenylindolizin-1-yl) 4-propan-2-ylbenzenesulfonate
CID 57391117
1-bromo-2-(4-methylphenyl)indolizine-3-carbonitrile
CID 19759531
9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336187
3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
pyrido[1,2-a]indole-8-carbonitrile
CID 91666081
(7-cyano-2,3-diphenylindolizin-1-yl) 4-(trifluoromethyl)benzenesulfonate
CID 57396388
3-[2,5-di(carbazol-9-yl)-3-(3-cyanophenyl)-4,6-dimethylphenyl]benzonitrile
CID 139554104
[7-cyano-2,3-bis(4-methylphenyl)indolizin-1-yl] 4-methylbenzenesulfonate
CID 57394717
9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile
CID 126761640
2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765818

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylindolizine-3,7-dicarbonitrile?
The IUPAC name of 2-methyl-1-phenylindolizine-3,7-dicarbonitrile (CID 11161205) is 2-methyl-1-phenylindolizine-3,7-dicarbonitrile.
What is the SMILES notation for 2-methyl-1-phenylindolizine-3,7-dicarbonitrile?
The canonical SMILES for 2-methyl-1-phenylindolizine-3,7-dicarbonitrile is Cc1c(-c2ccccc2)c2cc(C#N)ccn2c1C#N.
What is the InChIKey of 2-methyl-1-phenylindolizine-3,7-dicarbonitrile?
The InChIKey is GOAHHSPWXKHGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c1-12-16(11-19)20-8-7-13(10-18)9-15(20)17(12)14-5-3-2-4-6-14/h2-9H,1H3.
What are the key properties of 2-methyl-1-phenylindolizine-3,7-dicarbonitrile?
2-methyl-1-phenylindolizine-3,7-dicarbonitrile has a molecular weight of 257.30 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylindolizine-3,7-dicarbonitrile is sourced from PubChem (CID 11161205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).