2-(6-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)acetic acid

C13H13ClN2O2 — CID 84742781

IUPAC2-(6-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)acetic acid
SMILESO=C(O)Cc1c2n(c3c(Cl)cccc13)CCNC2
InChIInChI=1S/C13H13ClN2O2/c14-10-3-1-2-8-9(6-12(17)18)11-7-15-4-5-16(11)13(8)10/h1-3,15H,4-7H2,(H,17,18)
InChIKeyZXPQVTLEDRCMMM-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.03
Rot. Bonds2

About 2-(6-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)acetic acid

2-(6-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)acetic acid (PubChem CID 84742781) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-(6-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)acetic acid
PubChem CID84742781
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-(6-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)acetic acid
SMILESO=C(O)Cc1c2n(c3c(Cl)cccc13)CCNC2
InChIInChI=1S/C13H13ClN2O2/c14-10-3-1-2-8-9(6-12(17)18)11-7-15-4-5-16(11)13(8)10/h1-3,15H,4-7H2,(H,17,18)
InChIKeyZXPQVTLEDRCMMM-UHFFFAOYSA-N
XLogP2.03
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid
CID 82497008
3-(6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid
CID 84743259
6-ethyl-10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84630615
3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid
CID 84743197
N-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 166305228
6-fluoro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84620195
6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
CID 84740760
2-(2-bromo-6-chlorophenyl)acetic acid
CID 53446365
2-[(7S)-4-fluoro-7-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 68507023
7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole
CID 98034395
7-chloro-6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 68886671
2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 4262211

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)acetic acid?
The IUPAC name of 2-(6-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)acetic acid (CID 84742781) is 2-(6-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)acetic acid is O=C(O)Cc1c2n(c3c(Cl)cccc13)CCNC2.
What is the InChIKey of 2-(6-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)acetic acid?
The InChIKey is ZXPQVTLEDRCMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-10-3-1-2-8-9(6-12(17)18)11-7-15-4-5-16(11)13(8)10/h1-3,15H,4-7H2,(H,17,18).
What are the key properties of 2-(6-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)acetic acid?
2-(6-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)acetic acid has a molecular weight of 264.71 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)acetic acid is sourced from PubChem (CID 84742781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).