6-(2-methylpyrrolidin-2-yl)-9H-pyrido[3,4-b]indole

C16H17N3 — CID 117381861

IUPAC6-(2-methylpyrrolidin-2-yl)-9H-pyrido[3,4-b]indole
SMILESCC1(c2ccc3[nH]c4cnccc4c3c2)CCCN1
InChIInChI=1S/C16H17N3/c1-16(6-2-7-18-16)11-3-4-14-13(9-11)12-5-8-17-10-15(12)19-14/h3-5,8-10,18-19H,2,6-7H2,1H3
InChIKeyWGCCPALZLJRMRH-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.31
Rot. Bonds1

About 6-(2-methylpyrrolidin-2-yl)-9H-pyrido[3,4-b]indole

6-(2-methylpyrrolidin-2-yl)-9H-pyrido[3,4-b]indole (PubChem CID 117381861) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-(2-methylpyrrolidin-2-yl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-(2-methylpyrrolidin-2-yl)-9H-pyrido[3,4-b]indole
PubChem CID117381861
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name6-(2-methylpyrrolidin-2-yl)-9H-pyrido[3,4-b]indole
SMILESCC1(c2ccc3[nH]c4cnccc4c3c2)CCCN1
InChIInChI=1S/C16H17N3/c1-16(6-2-7-18-16)11-3-4-14-13(9-11)12-5-8-17-10-15(12)19-14/h3-5,8-10,18-19H,2,6-7H2,1H3
InChIKeyWGCCPALZLJRMRH-UHFFFAOYSA-N
XLogP3.31
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrrolidin-2-yl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-(2-methylpyrrolidin-2-yl)-9H-pyrido[3,4-b]indole (CID 117381861) is 6-(2-methylpyrrolidin-2-yl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-(2-methylpyrrolidin-2-yl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-(2-methylpyrrolidin-2-yl)-9H-pyrido[3,4-b]indole is CC1(c2ccc3[nH]c4cnccc4c3c2)CCCN1.
What is the InChIKey of 6-(2-methylpyrrolidin-2-yl)-9H-pyrido[3,4-b]indole?
The InChIKey is WGCCPALZLJRMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-16(6-2-7-18-16)11-3-4-14-13(9-11)12-5-8-17-10-15(12)19-14/h3-5,8-10,18-19H,2,6-7H2,1H3.
What are the key properties of 6-(2-methylpyrrolidin-2-yl)-9H-pyrido[3,4-b]indole?
6-(2-methylpyrrolidin-2-yl)-9H-pyrido[3,4-b]indole has a molecular weight of 251.33 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpyrrolidin-2-yl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 117381861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).