3-[(E)-2-(1,2-dimethylindolizin-3-yl)ethenyl]-1,2-dimethylindolizine

C22H22N2 — CID 102517093

IUPAC3-[(E)-2-(1,2-dimethylindolizin-3-yl)ethenyl]-1,2-dimethylindolizine
SMILESCc1c(C)c2ccccn2c1/C=C/c1c(C)c(C)c2ccccn12
InChIInChI=1S/C22H22N2/c1-15-17(3)21(23-13-7-5-9-19(15)23)11-12-22-18(4)16(2)20-10-6-8-14-24(20)22/h5-14H,1-4H3/b12-11+
InChIKeyHFLBYCFOBNWKTC-VAWYXSNFSA-N
MW314.43 g/mol
LogP5.60
Rot. Bonds2

About 3-[(E)-2-(1,2-dimethylindolizin-3-yl)ethenyl]-1,2-dimethylindolizine

3-[(E)-2-(1,2-dimethylindolizin-3-yl)ethenyl]-1,2-dimethylindolizine (PubChem CID 102517093) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[(E)-2-(1,2-dimethylindolizin-3-yl)ethenyl]-1,2-dimethylindolizine.

Molecular Properties

Compound Name3-[(E)-2-(1,2-dimethylindolizin-3-yl)ethenyl]-1,2-dimethylindolizine
PubChem CID102517093
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC Name3-[(E)-2-(1,2-dimethylindolizin-3-yl)ethenyl]-1,2-dimethylindolizine
SMILESCc1c(C)c2ccccn2c1/C=C/c1c(C)c(C)c2ccccn12
InChIInChI=1S/C22H22N2/c1-15-17(3)21(23-13-7-5-9-19(15)23)11-12-22-18(4)16(2)20-10-6-8-14-24(20)22/h5-14H,1-4H3/b12-11+
InChIKeyHFLBYCFOBNWKTC-VAWYXSNFSA-N
XLogP5.60
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Triprolidine
CID 5282443
3,3'-Diindolylmethane
CID 3071
Latrepirdine
CID 197033
Mebhydrolin
CID 22530
1-Methylindole
CID 11781
Decussine
CID 156336
1-Phenyl-1H-indole
CID 182029
5-(3-benzylpyrrolidin-3-yl)-1-methyl-1H-indole
CID 44230733
Gevotroline
CID 60547
NOP agonist-2
CID 129188443
1-methyl-N,N-dimethyltryptamine
CID 25927
N,N'-Dimethyltryptamine
CID 37796

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(1,2-dimethylindolizin-3-yl)ethenyl]-1,2-dimethylindolizine?
The IUPAC name of 3-[(E)-2-(1,2-dimethylindolizin-3-yl)ethenyl]-1,2-dimethylindolizine (CID 102517093) is 3-[(E)-2-(1,2-dimethylindolizin-3-yl)ethenyl]-1,2-dimethylindolizine.
What is the SMILES notation for 3-[(E)-2-(1,2-dimethylindolizin-3-yl)ethenyl]-1,2-dimethylindolizine?
The canonical SMILES for 3-[(E)-2-(1,2-dimethylindolizin-3-yl)ethenyl]-1,2-dimethylindolizine is Cc1c(C)c2ccccn2c1/C=C/c1c(C)c(C)c2ccccn12.
What is the InChIKey of 3-[(E)-2-(1,2-dimethylindolizin-3-yl)ethenyl]-1,2-dimethylindolizine?
The InChIKey is HFLBYCFOBNWKTC-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H22N2/c1-15-17(3)21(23-13-7-5-9-19(15)23)11-12-22-18(4)16(2)20-10-6-8-14-24(20)22/h5-14H,1-4H3/b12-11+.
What are the key properties of 3-[(E)-2-(1,2-dimethylindolizin-3-yl)ethenyl]-1,2-dimethylindolizine?
3-[(E)-2-(1,2-dimethylindolizin-3-yl)ethenyl]-1,2-dimethylindolizine has a molecular weight of 314.43 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(1,2-dimethylindolizin-3-yl)ethenyl]-1,2-dimethylindolizine is sourced from PubChem (CID 102517093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).