(Z)-3-(7-chloro-1H-indol-5-yl)-3-phenylprop-2-enenitrile

C17H11ClN2 — CID 59831763

IUPAC(Z)-3-(7-chloro-1H-indol-5-yl)-3-phenylprop-2-enenitrile
SMILESN#C/C=C(/c1ccccc1)c1cc(Cl)c2[nH]ccc2c1
InChIInChI=1S/C17H11ClN2/c18-16-11-14(10-13-7-9-20-17(13)16)15(6-8-19)12-4-2-1-3-5-12/h1-7,9-11,20H/b15-6-
InChIKeyBSKZGYCCKANUIR-UUASQNMZSA-N
MW278.74 g/mol
LogP4.78
Rot. Bonds2

About (Z)-3-(7-chloro-1H-indol-5-yl)-3-phenylprop-2-enenitrile

(Z)-3-(7-chloro-1H-indol-5-yl)-3-phenylprop-2-enenitrile (PubChem CID 59831763) has the molecular formula C17H11ClN2 and a molecular weight of 278.74 g/mol. Its IUPAC name is (Z)-3-(7-chloro-1H-indol-5-yl)-3-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(7-chloro-1H-indol-5-yl)-3-phenylprop-2-enenitrile
PubChem CID59831763
Molecular FormulaC17H11ClN2
Molecular Weight278.74 g/mol
Exact Mass278.06
IUPAC Name(Z)-3-(7-chloro-1H-indol-5-yl)-3-phenylprop-2-enenitrile
SMILESN#C/C=C(/c1ccccc1)c1cc(Cl)c2[nH]ccc2c1
InChIInChI=1S/C17H11ClN2/c18-16-11-14(10-13-7-9-20-17(13)16)15(6-8-19)12-4-2-1-3-5-12/h1-7,9-11,20H/b15-6-
InChIKeyBSKZGYCCKANUIR-UUASQNMZSA-N
XLogP4.78
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(7-chloro-1H-indol-5-yl)-3-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-(7-chloro-1H-indol-5-yl)-3-phenylprop-2-enenitrile (CID 59831763) is (Z)-3-(7-chloro-1H-indol-5-yl)-3-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(7-chloro-1H-indol-5-yl)-3-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(7-chloro-1H-indol-5-yl)-3-phenylprop-2-enenitrile is N#C/C=C(/c1ccccc1)c1cc(Cl)c2[nH]ccc2c1.
What is the InChIKey of (Z)-3-(7-chloro-1H-indol-5-yl)-3-phenylprop-2-enenitrile?
The InChIKey is BSKZGYCCKANUIR-UUASQNMZSA-N. The full InChI is InChI=1S/C17H11ClN2/c18-16-11-14(10-13-7-9-20-17(13)16)15(6-8-19)12-4-2-1-3-5-12/h1-7,9-11,20H/b15-6-.
What are the key properties of (Z)-3-(7-chloro-1H-indol-5-yl)-3-phenylprop-2-enenitrile?
(Z)-3-(7-chloro-1H-indol-5-yl)-3-phenylprop-2-enenitrile has a molecular weight of 278.74 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(7-chloro-1H-indol-5-yl)-3-phenylprop-2-enenitrile is sourced from PubChem (CID 59831763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).