8-cyclopropyl-3-methyl-9H-pyrido[2,3-b]indole

C15H14N2 — CID 164620448

IUPAC8-cyclopropyl-3-methyl-9H-pyrido[2,3-b]indole
SMILESCc1cnc2[nH]c3c(C4CC4)cccc3c2c1
InChIInChI=1S/C15H14N2/c1-9-7-13-12-4-2-3-11(10-5-6-10)14(12)17-15(13)16-8-9/h2-4,7-8,10H,5-6H2,1H3,(H,16,17)
InChIKeySEUAQBYXUCPXJO-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.90
Rot. Bonds1

About 8-cyclopropyl-3-methyl-9H-pyrido[2,3-b]indole

8-cyclopropyl-3-methyl-9H-pyrido[2,3-b]indole (PubChem CID 164620448) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 8-cyclopropyl-3-methyl-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name8-cyclopropyl-3-methyl-9H-pyrido[2,3-b]indole
PubChem CID164620448
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name8-cyclopropyl-3-methyl-9H-pyrido[2,3-b]indole
SMILESCc1cnc2[nH]c3c(C4CC4)cccc3c2c1
InChIInChI=1S/C15H14N2/c1-9-7-13-12-4-2-3-11(10-5-6-10)14(12)17-15(13)16-8-9/h2-4,7-8,10H,5-6H2,1H3,(H,16,17)
InChIKeySEUAQBYXUCPXJO-UHFFFAOYSA-N
XLogP3.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-3-methyl-9H-pyrido[2,3-b]indole?
The IUPAC name of 8-cyclopropyl-3-methyl-9H-pyrido[2,3-b]indole (CID 164620448) is 8-cyclopropyl-3-methyl-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 8-cyclopropyl-3-methyl-9H-pyrido[2,3-b]indole?
The canonical SMILES for 8-cyclopropyl-3-methyl-9H-pyrido[2,3-b]indole is Cc1cnc2[nH]c3c(C4CC4)cccc3c2c1.
What is the InChIKey of 8-cyclopropyl-3-methyl-9H-pyrido[2,3-b]indole?
The InChIKey is SEUAQBYXUCPXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-9-7-13-12-4-2-3-11(10-5-6-10)14(12)17-15(13)16-8-9/h2-4,7-8,10H,5-6H2,1H3,(H,16,17).
What are the key properties of 8-cyclopropyl-3-methyl-9H-pyrido[2,3-b]indole?
8-cyclopropyl-3-methyl-9H-pyrido[2,3-b]indole has a molecular weight of 222.29 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-3-methyl-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 164620448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).