3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine

C14H18ClN — CID 84797929

IUPAC3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine
SMILESClc1cc2c(c(CC3CCNC3)c1)CCC2
InChIInChI=1S/C14H18ClN/c15-13-7-11-2-1-3-14(11)12(8-13)6-10-4-5-16-9-10/h7-8,10,16H,1-6,9H2
InChIKeySJEFEEDUPGQTNP-UHFFFAOYSA-N
MW235.76 g/mol
LogP2.98
Rot. Bonds2

About 3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine

3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine (PubChem CID 84797929) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine
PubChem CID84797929
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine
SMILESClc1cc2c(c(CC3CCNC3)c1)CCC2
InChIInChI=1S/C14H18ClN/c15-13-7-11-2-1-3-14(11)12(8-13)6-10-4-5-16-9-10/h7-8,10,16H,1-6,9H2
InChIKeySJEFEEDUPGQTNP-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117474188
4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol
CID 84793216
3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine
CID 83688595
4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
CID 84815312
3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine
CID 84802962
2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117474191
3-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398044
3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine
CID 116925460
3-chloro-4-(pyrrolidin-3-ylmethyl)benzoic acid
CID 84800004
4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935
3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine
CID 84796479
2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol
CID 84790581

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine?
The IUPAC name of 3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine (CID 84797929) is 3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine?
The canonical SMILES for 3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine is Clc1cc2c(c(CC3CCNC3)c1)CCC2.
What is the InChIKey of 3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine?
The InChIKey is SJEFEEDUPGQTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c15-13-7-11-2-1-3-14(11)12(8-13)6-10-4-5-16-9-10/h7-8,10,16H,1-6,9H2.
What are the key properties of 3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine?
3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine has a molecular weight of 235.76 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine is sourced from PubChem (CID 84797929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).