methyl 3-(1,2-dihydroacenaphthylen-5-yl)-1H-indole-2-carboxylate

C22H17NO2 — CID 46183361

IUPACmethyl 3-(1,2-dihydroacenaphthylen-5-yl)-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccccc2c1-c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C22H17NO2/c1-25-22(24)21-20(17-6-2-3-8-18(17)23-21)16-12-11-14-10-9-13-5-4-7-15(16)19(13)14/h2-8,11-12,23H,9-10H2,1H3
InChIKeyVTSJBNCWTAAFDJ-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.87
Rot. Bonds2

About methyl 3-(1,2-dihydroacenaphthylen-5-yl)-1H-indole-2-carboxylate

methyl 3-(1,2-dihydroacenaphthylen-5-yl)-1H-indole-2-carboxylate (PubChem CID 46183361) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 3-(1,2-dihydroacenaphthylen-5-yl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1,2-dihydroacenaphthylen-5-yl)-1H-indole-2-carboxylate
PubChem CID46183361
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Namemethyl 3-(1,2-dihydroacenaphthylen-5-yl)-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccccc2c1-c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C22H17NO2/c1-25-22(24)21-20(17-6-2-3-8-18(17)23-21)16-12-11-14-10-9-13-5-4-7-15(16)19(13)14/h2-8,11-12,23H,9-10H2,1H3
InChIKeyVTSJBNCWTAAFDJ-UHFFFAOYSA-N
XLogP4.87
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl 3-(1,2-dihydroacenaphthylen-5-yl)-1H-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 3-phenanthren-9-yl-1H-indole-2-carboxylate
CID 46183126
methyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate
CID 46183128
methyl 3-dibenzothiophen-4-yl-1H-indole-2-carboxylate
CID 25022416
ethane;methyl 3-formyl-1H-indole-2-carboxylate
CID 143494583
methyl 3,5-diphenyl-1H-indole-2-carboxylate
CID 135386958
methyl 3-propanoyl-1H-indole-2-carboxylate
CID 23245117
methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate
CID 154810461
methyl 3-(hydroxyiminomethyl)-1H-indole-2-carboxylate
CID 135463087
methyl 3,4-dimethyl-1H-indole-2-carboxylate
CID 151780672
methyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate
CID 10634802
methyl 3-(3-methoxy-2,3-dioxopropyl)-1H-indole-2-carboxylate
CID 141481995
methyl 4-amino-1H-indole-2-carboxylate
CID 19955413

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,2-dihydroacenaphthylen-5-yl)-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-(1,2-dihydroacenaphthylen-5-yl)-1H-indole-2-carboxylate (CID 46183361) is methyl 3-(1,2-dihydroacenaphthylen-5-yl)-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-(1,2-dihydroacenaphthylen-5-yl)-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-(1,2-dihydroacenaphthylen-5-yl)-1H-indole-2-carboxylate is COC(=O)c1[nH]c2ccccc2c1-c1ccc2c3c(cccc13)CC2.
What is the InChIKey of methyl 3-(1,2-dihydroacenaphthylen-5-yl)-1H-indole-2-carboxylate?
The InChIKey is VTSJBNCWTAAFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-25-22(24)21-20(17-6-2-3-8-18(17)23-21)16-12-11-14-10-9-13-5-4-7-15(16)19(13)14/h2-8,11-12,23H,9-10H2,1H3.
What are the key properties of methyl 3-(1,2-dihydroacenaphthylen-5-yl)-1H-indole-2-carboxylate?
methyl 3-(1,2-dihydroacenaphthylen-5-yl)-1H-indole-2-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,2-dihydroacenaphthylen-5-yl)-1H-indole-2-carboxylate is sourced from PubChem (CID 46183361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).