4-[(Z)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile

C20H13N3 — CID 5296050

IUPAC4-[(Z)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C\c2nccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C20H13N3/c21-13-15-7-5-14(6-8-15)9-10-19-20-17(11-12-22-19)16-3-1-2-4-18(16)23-20/h1-12,23H/b10-9-
InChIKeyOULZBBSNLCKHRZ-KTKRTIGZSA-N
MW295.35 g/mol
LogP4.76
Rot. Bonds2

About 4-[(Z)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile

4-[(Z)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile (PubChem CID 5296050) has the molecular formula C20H13N3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-[(Z)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile
PubChem CID5296050
Molecular FormulaC20H13N3
Molecular Weight295.35 g/mol
Exact Mass295.11
IUPAC Name4-[(Z)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C\c2nccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C20H13N3/c21-13-15-7-5-14(6-8-15)9-10-19-20-17(11-12-22-19)16-3-1-2-4-18(16)23-20/h1-12,23H/b10-9-
InChIKeyOULZBBSNLCKHRZ-KTKRTIGZSA-N
XLogP4.76
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tryptamine
CID 1150
3,3'-Diindolylmethane
CID 3071
Beta-Carboline
CID 64961
Methyltryptamine
CID 6088
Indalpine
CID 44668
Ellipticine
CID 3213
Indole-3-acetonitrile
CID 351795
Harman
CID 5281404
Serdemetan
CID 11609586
1H-Indol-3-Ylmethanamine
CID 472107
Flortaucipir
CID 71059746
Tryptamine hydrochloride
CID 67652

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile?
The IUPAC name of 4-[(Z)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile (CID 5296050) is 4-[(Z)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile?
The canonical SMILES for 4-[(Z)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile is N#Cc1ccc(/C=C\c2nccc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 4-[(Z)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile?
The InChIKey is OULZBBSNLCKHRZ-KTKRTIGZSA-N. The full InChI is InChI=1S/C20H13N3/c21-13-15-7-5-14(6-8-15)9-10-19-20-17(11-12-22-19)16-3-1-2-4-18(16)23-20/h1-12,23H/b10-9-.
What are the key properties of 4-[(Z)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile?
4-[(Z)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile has a molecular weight of 295.35 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]benzonitrile is sourced from PubChem (CID 5296050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).