methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate

C13H13NO2 — CID 102568781

IUPACmethyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
SMILESCOC(=O)C1Cc2[nH]c3ccccc3c2C1
InChIInChI=1S/C13H13NO2/c1-16-13(15)8-6-10-9-4-2-3-5-11(9)14-12(10)7-8/h2-5,8,14H,6-7H2,1H3
InChIKeyRBOVNFIIDBCXMA-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.06
Rot. Bonds1

About methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate

methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate (PubChem CID 102568781) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
PubChem CID102568781
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Namemethyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
SMILESCOC(=O)C1Cc2[nH]c3ccccc3c2C1
InChIInChI=1S/C13H13NO2/c1-16-13(15)8-6-10-9-4-2-3-5-11(9)14-12(10)7-8/h2-5,8,14H,6-7H2,1H3
InChIKeyRBOVNFIIDBCXMA-UHFFFAOYSA-N
XLogP2.06
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.06
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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Related Compounds

methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
CID 12762686
methyl (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;dihydrochloride
CID 156599856
methyl 2-oxido-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
CID 141093622
methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
CID 84581597
methyl (3S)-2-(propan-2-ylcarbamoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 57395527
N-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 169084126
methyl (2S,3aS,10aR)-1-benzyl-3,3a,4,9,10,10a-hexahydro-2H-pyrrolo[2,3-b]carbazole-2-carboxylate
CID 102390639
2-O-tert-butyl 3-O-methyl 1,3,4,9-tetrahydropyrido[3,4-b]indole-2,3-dicarboxylate
CID 74324887
3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84580618
N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 23249177
(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide
CID 162349920
(2S)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
CID 86306921

Frequently Asked Questions

What is the IUPAC name of methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate?
The IUPAC name of methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate (CID 102568781) is methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate.
What is the SMILES notation for methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate?
The canonical SMILES for methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate is COC(=O)C1Cc2[nH]c3ccccc3c2C1.
What is the InChIKey of methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate?
The InChIKey is RBOVNFIIDBCXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-16-13(15)8-6-10-9-4-2-3-5-11(9)14-12(10)7-8/h2-5,8,14H,6-7H2,1H3.
What are the key properties of methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate?
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate is sourced from PubChem (CID 102568781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).