4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole

C14H18N2 — CID 117184813

IUPAC4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole
SMILESCc1cccc2[nH]c(CN3CCCC3)cc12
InChIInChI=1S/C14H18N2/c1-11-5-4-6-14-13(11)9-12(15-14)10-16-7-2-3-8-16/h4-6,9,15H,2-3,7-8,10H2,1H3
InChIKeyOZCBSGARUZTPHO-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.07
Rot. Bonds2

About 4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole

4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole (PubChem CID 117184813) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole.

Molecular Properties

Compound Name4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole
PubChem CID117184813
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole
SMILESCc1cccc2[nH]c(CN3CCCC3)cc12
InChIInChI=1S/C14H18N2/c1-11-5-4-6-14-13(11)9-12(15-14)10-16-7-2-3-8-16/h4-6,9,15H,2-3,7-8,10H2,1H3
InChIKeyOZCBSGARUZTPHO-UHFFFAOYSA-N
XLogP3.07
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methyl-1H-indol-2-yl)ethanamine
CID 28806674
2,4-dimethyl-1H-indole;ethane
CID 91303970
1-[[3-[(2,6-dimethylphenoxy)methyl]phenyl]methyl]piperidine
CID 23276093
5-chloro-2-(pyrrolidin-1-ylmethyl)-1H-indole
CID 117176612
5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole
CID 66670945
2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine
CID 84681236
1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole
CID 117186191
5-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]-2H-isoquinolin-1-one
CID 71736446
5-chloro-2-(piperidin-1-ylmethyl)-1H-indole
CID 117176618
9-[(4,6-dimethyl-1H-indol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 126822063
2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole
CID 117184850
4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117184903

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole?
The IUPAC name of 4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole (CID 117184813) is 4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole.
What is the SMILES notation for 4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole?
The canonical SMILES for 4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole is Cc1cccc2[nH]c(CN3CCCC3)cc12.
What is the InChIKey of 4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole?
The InChIKey is OZCBSGARUZTPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-5-4-6-14-13(11)9-12(15-14)10-16-7-2-3-8-16/h4-6,9,15H,2-3,7-8,10H2,1H3.
What are the key properties of 4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole?
4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole has a molecular weight of 214.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole is sourced from PubChem (CID 117184813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).