2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2,3-dihydro-1H-indole

C14H12ClN — CID 21320464

IUPAC2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2,3-dihydro-1H-indole
SMILESClc1cc2ccc1=2.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.C6H3Cl/c1-2-4-8-7(3-1)5-6-9-8;7-6-3-4-1-2-5(4)6/h1-4,9H,5-6H2;1-3H
InChIKeyZULDXJSNLGKHSZ-UHFFFAOYSA-N
MW229.71 g/mol
LogP3.59
Rot. Bonds

About 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2,3-dihydro-1H-indole

2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2,3-dihydro-1H-indole (PubChem CID 21320464) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2,3-dihydro-1H-indole
PubChem CID21320464
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC Name2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2,3-dihydro-1H-indole
SMILESClc1cc2ccc1=2.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.C6H3Cl/c1-2-4-8-7(3-1)5-6-9-8;7-6-3-4-1-2-5(4)6/h1-4,9H,5-6H2;1-3H
InChIKeyZULDXJSNLGKHSZ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2,3-dihydro-1H-indole?
The IUPAC name of 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2,3-dihydro-1H-indole (CID 21320464) is 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2,3-dihydro-1H-indole.
What is the SMILES notation for 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2,3-dihydro-1H-indole?
The canonical SMILES for 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2,3-dihydro-1H-indole is Clc1cc2ccc1=2.c1ccc2c(c1)CCN2.
What is the InChIKey of 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2,3-dihydro-1H-indole?
The InChIKey is ZULDXJSNLGKHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C6H3Cl/c1-2-4-8-7(3-1)5-6-9-8;7-6-3-4-1-2-5(4)6/h1-4,9H,5-6H2;1-3H.
What are the key properties of 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2,3-dihydro-1H-indole?
2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2,3-dihydro-1H-indole has a molecular weight of 229.71 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2,3-dihydro-1H-indole is sourced from PubChem (CID 21320464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).