7-[(2-ethyl-4-methylpyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole

C16H24N2 — CID 120848786

IUPAC7-[(2-ethyl-4-methylpyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCCC1CC(C)CN1Cc1cccc2c1NCC2
InChIInChI=1S/C16H24N2/c1-3-15-9-12(2)10-18(15)11-14-6-4-5-13-7-8-17-16(13)14/h4-6,12,15,17H,3,7-11H2,1-2H3
InChIKeyNJZBURAVDBKHPV-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.28
Rot. Bonds3

About 7-[(2-ethyl-4-methylpyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole

7-[(2-ethyl-4-methylpyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 120848786) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 7-[(2-ethyl-4-methylpyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[(2-ethyl-4-methylpyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID120848786
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name7-[(2-ethyl-4-methylpyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCCC1CC(C)CN1Cc1cccc2c1NCC2
InChIInChI=1S/C16H24N2/c1-3-15-9-12(2)10-18(15)11-14-6-4-5-13-7-8-17-16(13)14/h4-6,12,15,17H,3,7-11H2,1-2H3
InChIKeyNJZBURAVDBKHPV-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277959
7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113278021
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylmorpholine
CID 113277983
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine
CID 113278018
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one
CID 113278010
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 120855860
7-[(7-methyl-6-azaspiro[3.4]octan-6-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride
CID 120857977
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2,6-trimethylmorpholine
CID 114327180
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine
CID 120848990
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride
CID 120848989

Frequently Asked Questions

What is the IUPAC name of 7-[(2-ethyl-4-methylpyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[(2-ethyl-4-methylpyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole (CID 120848786) is 7-[(2-ethyl-4-methylpyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[(2-ethyl-4-methylpyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[(2-ethyl-4-methylpyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole is CCC1CC(C)CN1Cc1cccc2c1NCC2.
What is the InChIKey of 7-[(2-ethyl-4-methylpyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is NJZBURAVDBKHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-15-9-12(2)10-18(15)11-14-6-4-5-13-7-8-17-16(13)14/h4-6,12,15,17H,3,7-11H2,1-2H3.
What are the key properties of 7-[(2-ethyl-4-methylpyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole?
7-[(2-ethyl-4-methylpyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 244.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-ethyl-4-methylpyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 120848786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).