8-chloro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole

C12H13ClN2 — CID 14595518

IUPAC8-chloro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCc1c2n(c3ccc(Cl)cc13)CCNC2
InChIInChI=1S/C12H13ClN2/c1-8-10-6-9(13)2-3-11(10)15-5-4-14-7-12(8)15/h2-3,6,14H,4-5,7H2,1H3
InChIKeyVVWZLRCPMVWHTI-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.71
Rot. Bonds

About 8-chloro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole

8-chloro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (PubChem CID 14595518) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 8-chloro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name8-chloro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
PubChem CID14595518
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name8-chloro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCc1c2n(c3ccc(Cl)cc13)CCNC2
InChIInChI=1S/C12H13ClN2/c1-8-10-6-9(13)2-3-11(10)15-5-4-14-7-12(8)15/h2-3,6,14H,4-5,7H2,1H3
InChIKeyVVWZLRCPMVWHTI-UHFFFAOYSA-N
XLogP2.71
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 8-chloro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The IUPAC name of 8-chloro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (CID 14595518) is 8-chloro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.
What is the SMILES notation for 8-chloro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The canonical SMILES for 8-chloro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is Cc1c2n(c3ccc(Cl)cc13)CCNC2.
What is the InChIKey of 8-chloro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The InChIKey is VVWZLRCPMVWHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-8-10-6-9(13)2-3-11(10)15-5-4-14-7-12(8)15/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 8-chloro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
8-chloro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole has a molecular weight of 220.70 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is sourced from PubChem (CID 14595518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).