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

C12H13ClN2O — CID 10105553

IUPAC8-chloro-10-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCOc1c2n(c3ccc(Cl)cc13)CCNC2
InChIInChI=1S/C12H13ClN2O/c1-16-12-9-6-8(13)2-3-10(9)15-5-4-14-7-11(12)15/h2-3,6,14H,4-5,7H2,1H3
InChIKeyJJJQHZGAEPDWLP-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.41
Rot. Bonds1

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

8-chloro-10-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole (PubChem CID 10105553) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 8-chloro-10-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name8-chloro-10-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole
PubChem CID10105553
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name8-chloro-10-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCOc1c2n(c3ccc(Cl)cc13)CCNC2
InChIInChI=1S/C12H13ClN2O/c1-16-12-9-6-8(13)2-3-10(9)15-5-4-14-7-11(12)15/h2-3,6,14H,4-5,7H2,1H3
InChIKeyJJJQHZGAEPDWLP-UHFFFAOYSA-N
XLogP2.41
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-10-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The IUPAC name of 8-chloro-10-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole (CID 10105553) is 8-chloro-10-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole.
What is the SMILES notation for 8-chloro-10-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The canonical SMILES for 8-chloro-10-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole is COc1c2n(c3ccc(Cl)cc13)CCNC2.
What is the InChIKey of 8-chloro-10-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The InChIKey is JJJQHZGAEPDWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-16-12-9-6-8(13)2-3-10(9)15-5-4-14-7-11(12)15/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 8-chloro-10-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
8-chloro-10-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole has a molecular weight of 236.70 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-10-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole is sourced from PubChem (CID 10105553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).