methyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate

C11H11NO2 — CID 582671

IUPACmethyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate
SMILESCOC(=O)N1c2ccccc2C2CC21
InChIInChI=1S/C11H11NO2/c1-14-11(13)12-9-5-3-2-4-7(9)8-6-10(8)12/h2-5,8,10H,6H2,1H3
InChIKeySYBTWSRLILYBIM-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.13
Rot. Bonds

About methyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate

methyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate (PubChem CID 582671) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate
PubChem CID582671
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namemethyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate
SMILESCOC(=O)N1c2ccccc2C2CC21
InChIInChI=1S/C11H11NO2/c1-14-11(13)12-9-5-3-2-4-7(9)8-6-10(8)12/h2-5,8,10H,6H2,1H3
InChIKeySYBTWSRLILYBIM-UHFFFAOYSA-N
XLogP2.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3aR,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b]indole-4-carboxylate
CID 102498665
(2S,4R)-1-methoxycarbonyl-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 136585449
2-O-benzyl 5-O-methyl (4aS,9bS)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-2,5-dicarboxylate
CID 102106750
dimethyl 6H-benzo[d][1,3]benzodiazepine-5,7-dicarboxylate
CID 67225475
dimethyl 5,8-diazahexacyclo[10.6.1.13,10.02,11.04,9.013,18]icosa-4(9),6,13,15,17-pentaene-5,8-dicarboxylate
CID 102079124
methyl (2R,3S)-1-acetyl-3-hydroxy-2,3-dihydroindole-2-carboxylate
CID 95562403
1-[(1R,2R,11S,12S)-13-acetyl-9,13-diazapentacyclo[10.7.1.02,11.03,8.014,19]icosa-3,5,7,14,16,18-hexaen-9-yl]ethanone
CID 11142538
1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
CID 102567879
methyl (1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate
CID 11019915
methyl (4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carboxylate
CID 933122
methyl (2R,3aS,8bR)-4-(benzenesulfonyl)-2-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate
CID 10384653
methyl (4aS,9aR)-8-fluoro-1,2,3,4,4a,9a-hexahydrocarbazole-9-carboxylate
CID 135008085

Frequently Asked Questions

What is the IUPAC name of methyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate?
The IUPAC name of methyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate (CID 582671) is methyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate.
What is the SMILES notation for methyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate?
The canonical SMILES for methyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate is COC(=O)N1c2ccccc2C2CC21.
What is the InChIKey of methyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate?
The InChIKey is SYBTWSRLILYBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-14-11(13)12-9-5-3-2-4-7(9)8-6-10(8)12/h2-5,8,10H,6H2,1H3.
What are the key properties of methyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate?
methyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate has a molecular weight of 189.21 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate is sourced from PubChem (CID 582671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).