5,7-dichloro-3-cyclobutyl-2,3-dihydro-1H-indole

C12H13Cl2N — CID 106986327

IUPAC5,7-dichloro-3-cyclobutyl-2,3-dihydro-1H-indole
SMILESClc1cc(Cl)c2c(c1)C(C1CCC1)CN2
InChIInChI=1S/C12H13Cl2N/c13-8-4-9-10(7-2-1-3-7)6-15-12(9)11(14)5-8/h4-5,7,10,15H,1-3,6H2
InChIKeyUZRXAMVCDVFUGN-UHFFFAOYSA-N
MW242.15 g/mol
LogP4.30
Rot. Bonds1

About 5,7-dichloro-3-cyclobutyl-2,3-dihydro-1H-indole

5,7-dichloro-3-cyclobutyl-2,3-dihydro-1H-indole (PubChem CID 106986327) has the molecular formula C12H13Cl2N and a molecular weight of 242.15 g/mol. Its IUPAC name is 5,7-dichloro-3-cyclobutyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5,7-dichloro-3-cyclobutyl-2,3-dihydro-1H-indole
PubChem CID106986327
Molecular FormulaC12H13Cl2N
Molecular Weight242.15 g/mol
Exact Mass241.04
IUPAC Name5,7-dichloro-3-cyclobutyl-2,3-dihydro-1H-indole
SMILESClc1cc(Cl)c2c(c1)C(C1CCC1)CN2
InChIInChI=1S/C12H13Cl2N/c13-8-4-9-10(7-2-1-3-7)6-15-12(9)11(14)5-8/h4-5,7,10,15H,1-3,6H2
InChIKeyUZRXAMVCDVFUGN-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)methanol
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5,7-dichloro-3-pentyl-2,3-dihydro-1H-indole
CID 106985724
5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole
CID 106986337
6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole
CID 105498634
8-cyclohexyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-f]indole
CID 82184556
2,4,6-trichloro-N-cyclobutylaniline
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4-(2-bromo-5-chlorophenyl)-3-cyclopentylpiperidine
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1,5-dichloro-3-cyclopropyl-2-ethylbenzene
CID 123359975
8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
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2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline
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CID 62373756

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-cyclobutyl-2,3-dihydro-1H-indole?
The IUPAC name of 5,7-dichloro-3-cyclobutyl-2,3-dihydro-1H-indole (CID 106986327) is 5,7-dichloro-3-cyclobutyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5,7-dichloro-3-cyclobutyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5,7-dichloro-3-cyclobutyl-2,3-dihydro-1H-indole is Clc1cc(Cl)c2c(c1)C(C1CCC1)CN2.
What is the InChIKey of 5,7-dichloro-3-cyclobutyl-2,3-dihydro-1H-indole?
The InChIKey is UZRXAMVCDVFUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N/c13-8-4-9-10(7-2-1-3-7)6-15-12(9)11(14)5-8/h4-5,7,10,15H,1-3,6H2.
What are the key properties of 5,7-dichloro-3-cyclobutyl-2,3-dihydro-1H-indole?
5,7-dichloro-3-cyclobutyl-2,3-dihydro-1H-indole has a molecular weight of 242.15 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-cyclobutyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).