4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole

C14H19ClN2 — CID 120902173

IUPAC4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole
SMILESCC1(CN2CCc3c(Cl)cccc32)CCNC1
InChIInChI=1S/C14H19ClN2/c1-14(6-7-16-9-14)10-17-8-5-11-12(15)3-2-4-13(11)17/h2-4,16H,5-10H2,1H3
InChIKeyWUJWEHUJHBYSHF-UHFFFAOYSA-N
MW250.77 g/mol
LogP2.70
Rot. Bonds2

About 4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole

4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole (PubChem CID 120902173) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole
PubChem CID120902173
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole
SMILESCC1(CN2CCc3c(Cl)cccc32)CCNC1
InChIInChI=1S/C14H19ClN2/c1-14(6-7-16-9-14)10-17-8-5-11-12(15)3-2-4-13(11)17/h2-4,16H,5-10H2,1H3
InChIKeyWUJWEHUJHBYSHF-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 120900285
1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline
CID 120902163
1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120898158
10-[(3-methylpyrrolidin-3-yl)methyl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride
CID 120905032
1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole
CID 120904397
(4-chloro-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120633556
1-(2,3-difluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120900542
6-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline
CID 63142917
methyl 1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole-5-carboxylate;hydrochloride
CID 120902610
7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline
CID 120902138
1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120897569
4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120905694

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole?
The IUPAC name of 4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole (CID 120902173) is 4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole?
The canonical SMILES for 4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole is CC1(CN2CCc3c(Cl)cccc32)CCNC1.
What is the InChIKey of 4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole?
The InChIKey is WUJWEHUJHBYSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-14(6-7-16-9-14)10-17-8-5-11-12(15)3-2-4-13(11)17/h2-4,16H,5-10H2,1H3.
What are the key properties of 4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole?
4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole has a molecular weight of 250.77 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 120902173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).