7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole

C13H18ClN — CID 106985918

IUPAC7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole
SMILESCCC(CC)C1CNc2c(Cl)cccc21
InChIInChI=1S/C13H18ClN/c1-3-9(4-2)11-8-15-13-10(11)6-5-7-12(13)14/h5-7,9,11,15H,3-4,8H2,1-2H3
InChIKeyFYCWLAIGKRLXGI-UHFFFAOYSA-N
MW223.75 g/mol
LogP4.29
Rot. Bonds3

About 7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole

7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole (PubChem CID 106985918) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole
PubChem CID106985918
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole
SMILESCCC(CC)C1CNc2c(Cl)cccc21
InChIInChI=1S/C13H18ClN/c1-3-9(4-2)11-8-15-13-10(11)6-5-7-12(13)14/h5-7,9,11,15H,3-4,8H2,1-2H3
InChIKeyFYCWLAIGKRLXGI-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-3-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84671899
7-chloro-3-propyl-2,3-dihydro-1H-indole
CID 106985714
7-chloro-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 82624967
2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol
CID 83860422
(3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole
CID 95430864
7-chloro-3-(1-methylcyclohexyl)-2,3-dihydro-1H-indole
CID 106985936
2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83868516
6-chloro-3-propyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 79295304
3-(7-methyl-2,3-dihydro-1H-indol-3-yl)butanoic acid
CID 83860344
7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986432
4-(azetidin-1-ylmethyl)-8-chloro-1,2,3,4-tetrahydroquinoline
CID 105498664
1-(7-methyl-2,3-dihydro-1H-indol-3-yl)propan-2-amine
CID 82277210

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole?
The IUPAC name of 7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole (CID 106985918) is 7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole is CCC(CC)C1CNc2c(Cl)cccc21.
What is the InChIKey of 7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole?
The InChIKey is FYCWLAIGKRLXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-3-9(4-2)11-8-15-13-10(11)6-5-7-12(13)14/h5-7,9,11,15H,3-4,8H2,1-2H3.
What are the key properties of 7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole?
7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole has a molecular weight of 223.75 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 106985918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).