10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole

C15H19N — CID 58315233

IUPAC10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole
SMILESCC(C)c1c2n(c3ccccc13)CCCC2
InChIInChI=1S/C15H19N/c1-11(2)15-12-7-3-4-8-13(12)16-10-6-5-9-14(15)16/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyQMXWIJCOIMMUGC-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.10
Rot. Bonds1

About 10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole

10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole (PubChem CID 58315233) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole.

Molecular Properties

Compound Name10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole
PubChem CID58315233
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole
SMILESCC(C)c1c2n(c3ccccc13)CCCC2
InChIInChI=1S/C15H19N/c1-11(2)15-12-7-3-4-8-13(12)16-10-6-5-9-14(15)16/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyQMXWIJCOIMMUGC-UHFFFAOYSA-N
XLogP4.10
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole?
The IUPAC name of 10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole (CID 58315233) is 10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole.
What is the SMILES notation for 10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole?
The canonical SMILES for 10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole is CC(C)c1c2n(c3ccccc13)CCCC2.
What is the InChIKey of 10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole?
The InChIKey is QMXWIJCOIMMUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-11(2)15-12-7-3-4-8-13(12)16-10-6-5-9-14(15)16/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of 10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole?
10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole has a molecular weight of 213.32 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole is sourced from PubChem (CID 58315233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).