2-[2-chloro-3-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]acetonitrile

C17H13ClN2 — CID 146227642

IUPAC2-[2-chloro-3-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]acetonitrile
SMILESC=C1Cc2cc(-c3cccc(CC#N)c3Cl)ccc2N1
InChIInChI=1S/C17H13ClN2/c1-11-9-14-10-13(5-6-16(14)20-11)15-4-2-3-12(7-8-19)17(15)18/h2-6,10,20H,1,7,9H2
InChIKeyPLARTCKYBDUXBK-UHFFFAOYSA-N
MW280.76 g/mol
LogP4.55
Rot. Bonds2

About 2-[2-chloro-3-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]acetonitrile

2-[2-chloro-3-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]acetonitrile (PubChem CID 146227642) has the molecular formula C17H13ClN2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 2-[2-chloro-3-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-chloro-3-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]acetonitrile
PubChem CID146227642
Molecular FormulaC17H13ClN2
Molecular Weight280.76 g/mol
Exact Mass280.08
IUPAC Name2-[2-chloro-3-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]acetonitrile
SMILESC=C1Cc2cc(-c3cccc(CC#N)c3Cl)ccc2N1
InChIInChI=1S/C17H13ClN2/c1-11-9-14-10-13(5-6-16(14)20-11)15-4-2-3-12(7-8-19)17(15)18/h2-6,10,20H,1,7,9H2
InChIKeyPLARTCKYBDUXBK-UHFFFAOYSA-N
XLogP4.55
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]acetonitrile?
The IUPAC name of 2-[2-chloro-3-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]acetonitrile (CID 146227642) is 2-[2-chloro-3-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-chloro-3-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]acetonitrile?
The canonical SMILES for 2-[2-chloro-3-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]acetonitrile is C=C1Cc2cc(-c3cccc(CC#N)c3Cl)ccc2N1.
What is the InChIKey of 2-[2-chloro-3-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]acetonitrile?
The InChIKey is PLARTCKYBDUXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2/c1-11-9-14-10-13(5-6-16(14)20-11)15-4-2-3-12(7-8-19)17(15)18/h2-6,10,20H,1,7,9H2.
What are the key properties of 2-[2-chloro-3-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]acetonitrile?
2-[2-chloro-3-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]acetonitrile has a molecular weight of 280.76 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]acetonitrile is sourced from PubChem (CID 146227642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).