methane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid

C13H16N2O2 — CID 143296449

IUPACmethane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
SMILESC.O=C(O)c1ccc2[nH]c3c(c2c1)CNCC3
InChIInChI=1S/C12H12N2O2.CH4/c15-12(16)7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10;/h1-2,5,13-14H,3-4,6H2,(H,15,16);1H4
InChIKeyLZRYMEYDXAMQFB-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.15
Rot. Bonds1

About methane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid

methane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid (PubChem CID 143296449) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is methane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid.

Molecular Properties

Compound Namemethane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
PubChem CID143296449
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namemethane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
SMILESC.O=C(O)c1ccc2[nH]c3c(c2c1)CNCC3
InChIInChI=1S/C12H12N2O2.CH4/c15-12(16)7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10;/h1-2,5,13-14H,3-4,6H2,(H,15,16);1H4
InChIKeyLZRYMEYDXAMQFB-UHFFFAOYSA-N
XLogP2.15
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid
CID 83886993
8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 46735922
(6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
CID 95426173
6-tert-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 59436669
2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 56766556
8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 4777842
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
2-(3,4-dimethylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 113081838
6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 19807228
2-(furan-2-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 113081820
2-butylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 113081876
2-[4-(dimethylsulfamoyl)benzoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 75414304

Frequently Asked Questions

What is the IUPAC name of methane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid?
The IUPAC name of methane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid (CID 143296449) is methane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid.
What is the SMILES notation for methane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid?
The canonical SMILES for methane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid is C.O=C(O)c1ccc2[nH]c3c(c2c1)CNCC3.
What is the InChIKey of methane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid?
The InChIKey is LZRYMEYDXAMQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.CH4/c15-12(16)7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10;/h1-2,5,13-14H,3-4,6H2,(H,15,16);1H4.
What are the key properties of methane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid?
methane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid is sourced from PubChem (CID 143296449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).