5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole

C14H18ClN — CID 3950781

IUPAC5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole
SMILESCc1cc(Cl)cc2c1NC(C1CCCC1)C2
InChIInChI=1S/C14H18ClN/c1-9-6-12(15)7-11-8-13(16-14(9)11)10-4-2-3-5-10/h6-7,10,13,16H,2-5,8H2,1H3
InChIKeyACTYZNBJUBRERU-UHFFFAOYSA-N
MW235.76 g/mol
LogP4.18
Rot. Bonds1

About 5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole

5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole (PubChem CID 3950781) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole
PubChem CID3950781
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole
SMILESCc1cc(Cl)cc2c1NC(C1CCCC1)C2
InChIInChI=1S/C14H18ClN/c1-9-6-12(15)7-11-8-13(16-14(9)11)10-4-2-3-5-10/h6-7,10,13,16H,2-5,8H2,1H3
InChIKeyACTYZNBJUBRERU-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole (CID 3950781) is 5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole is Cc1cc(Cl)cc2c1NC(C1CCCC1)C2.
What is the InChIKey of 5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole?
The InChIKey is ACTYZNBJUBRERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c1-9-6-12(15)7-11-8-13(16-14(9)11)10-4-2-3-5-10/h6-7,10,13,16H,2-5,8H2,1H3.
What are the key properties of 5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole?
5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole has a molecular weight of 235.76 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3950781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).