3-[(3-propylpyrrol-1-yl)methyl]-1H-indole

C16H18N2 — CID 152698267

IUPAC3-[(3-propylpyrrol-1-yl)methyl]-1H-indole
SMILESCCCc1ccn(Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C16H18N2/c1-2-5-13-8-9-18(11-13)12-14-10-17-16-7-4-3-6-15(14)16/h3-4,6-11,17H,2,5,12H2,1H3
InChIKeyZRAJBNZWYPDHRN-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.97
Rot. Bonds4

About 3-[(3-propylpyrrol-1-yl)methyl]-1H-indole

3-[(3-propylpyrrol-1-yl)methyl]-1H-indole (PubChem CID 152698267) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[(3-propylpyrrol-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(3-propylpyrrol-1-yl)methyl]-1H-indole
PubChem CID152698267
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name3-[(3-propylpyrrol-1-yl)methyl]-1H-indole
SMILESCCCc1ccn(Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C16H18N2/c1-2-5-13-8-9-18(11-13)12-14-10-17-16-7-4-3-6-15(14)16/h3-4,6-11,17H,2,5,12H2,1H3
InChIKeyZRAJBNZWYPDHRN-UHFFFAOYSA-N
XLogP3.97
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-heptyl-1H-indole
CID 15360907
3-ethyl-1H-indole;methanamine
CID 142222050
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
[1-(1H-indol-3-ylmethyl)indol-3-yl]methanol
CID 86183911
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
2-methylpiperazine;3-propyl-1H-indole
CID 143269934
1-(1H-indol-3-yl)hexan-3-one
CID 166814803
N-[2-(1H-indol-3-yl)ethyl]-N-methoxypropan-1-amine
CID 175843583
3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177
1-(1H-indol-3-ylmethyl)indole
CID 15949032
CID 176716315
CID 176716315
3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 674171

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propylpyrrol-1-yl)methyl]-1H-indole?
The IUPAC name of 3-[(3-propylpyrrol-1-yl)methyl]-1H-indole (CID 152698267) is 3-[(3-propylpyrrol-1-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[(3-propylpyrrol-1-yl)methyl]-1H-indole?
The canonical SMILES for 3-[(3-propylpyrrol-1-yl)methyl]-1H-indole is CCCc1ccn(Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-[(3-propylpyrrol-1-yl)methyl]-1H-indole?
The InChIKey is ZRAJBNZWYPDHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-5-13-8-9-18(11-13)12-14-10-17-16-7-4-3-6-15(14)16/h3-4,6-11,17H,2,5,12H2,1H3.
What are the key properties of 3-[(3-propylpyrrol-1-yl)methyl]-1H-indole?
3-[(3-propylpyrrol-1-yl)methyl]-1H-indole has a molecular weight of 238.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propylpyrrol-1-yl)methyl]-1H-indole is sourced from PubChem (CID 152698267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).