5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole

C14H18ClN — CID 106985998

IUPAC5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole
SMILESClc1ccc2c(c1)C(CC1CCCC1)CN2
InChIInChI=1S/C14H18ClN/c15-12-5-6-14-13(8-12)11(9-16-14)7-10-3-1-2-4-10/h5-6,8,10-11,16H,1-4,7,9H2
InChIKeyUJWSGNPKULBXEA-UHFFFAOYSA-N
MW235.76 g/mol
LogP4.43
Rot. Bonds2

About 5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole

5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole (PubChem CID 106985998) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole
PubChem CID106985998
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole
SMILESClc1ccc2c(c1)C(CC1CCCC1)CN2
InChIInChI=1S/C14H18ClN/c15-12-5-6-14-13(8-12)11(9-16-14)7-10-3-1-2-4-10/h5-6,8,10-11,16H,1-4,7,9H2
InChIKeyUJWSGNPKULBXEA-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010
(3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole
CID 95430825
2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde
CID 112711571
5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one
CID 19076497
3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole
CID 106986354
5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole
CID 50902602
3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole
CID 106986001
1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine
CID 105464651
ethyl 3-(5-chloro-2,3-dihydro-1H-indol-3-yl)propanoate
CID 70824239
3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole
CID 106986352
2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol
CID 117202115
5-chloro-2-(cyclohexylmethyl)aniline
CID 105481516

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole (CID 106985998) is 5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole is Clc1ccc2c(c1)C(CC1CCCC1)CN2.
What is the InChIKey of 5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole?
The InChIKey is UJWSGNPKULBXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c15-12-5-6-14-13(8-12)11(9-16-14)7-10-3-1-2-4-10/h5-6,8,10-11,16H,1-4,7,9H2.
What are the key properties of 5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole?
5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole has a molecular weight of 235.76 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106985998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).