methyl 2-propyl-2,3-dihydro-1H-indole-4-carboxylate

C13H17NO2 — CID 118050194

IUPACmethyl 2-propyl-2,3-dihydro-1H-indole-4-carboxylate
SMILESCCCC1Cc2c(cccc2C(=O)OC)N1
InChIInChI=1S/C13H17NO2/c1-3-5-9-8-11-10(13(15)16-2)6-4-7-12(11)14-9/h4,6-7,9,14H,3,5,8H2,1-2H3
InChIKeyUPFRNTOBJKGZKJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.61
Rot. Bonds3

About methyl 2-propyl-2,3-dihydro-1H-indole-4-carboxylate

methyl 2-propyl-2,3-dihydro-1H-indole-4-carboxylate (PubChem CID 118050194) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-propyl-2,3-dihydro-1H-indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-propyl-2,3-dihydro-1H-indole-4-carboxylate
PubChem CID118050194
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-propyl-2,3-dihydro-1H-indole-4-carboxylate
SMILESCCCC1Cc2c(cccc2C(=O)OC)N1
InChIInChI=1S/C13H17NO2/c1-3-5-9-8-11-10(13(15)16-2)6-4-7-12(11)14-9/h4,6-7,9,14H,3,5,8H2,1-2H3
InChIKeyUPFRNTOBJKGZKJ-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-propyl-2,3-dihydro-1H-indole-4-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 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate
CID 86099354
methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate
CID 124673429
methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate
CID 59505387
dimethyl 2-propylbenzene-1,3-dicarboxylate
CID 131888710
methyl 1-propyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indole-5-carboxylate
CID 70093731
methyl 3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
CID 130041121
methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate
CID 19028093
dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360
2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid
CID 117202955
methyl 3-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate
CID 67374009
dimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate
CID 134459821
methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride
CID 154878753

Frequently Asked Questions

What is the IUPAC name of methyl 2-propyl-2,3-dihydro-1H-indole-4-carboxylate?
The IUPAC name of methyl 2-propyl-2,3-dihydro-1H-indole-4-carboxylate (CID 118050194) is methyl 2-propyl-2,3-dihydro-1H-indole-4-carboxylate.
What is the SMILES notation for methyl 2-propyl-2,3-dihydro-1H-indole-4-carboxylate?
The canonical SMILES for methyl 2-propyl-2,3-dihydro-1H-indole-4-carboxylate is CCCC1Cc2c(cccc2C(=O)OC)N1.
What is the InChIKey of methyl 2-propyl-2,3-dihydro-1H-indole-4-carboxylate?
The InChIKey is UPFRNTOBJKGZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-5-9-8-11-10(13(15)16-2)6-4-7-12(11)14-9/h4,6-7,9,14H,3,5,8H2,1-2H3.
What are the key properties of methyl 2-propyl-2,3-dihydro-1H-indole-4-carboxylate?
methyl 2-propyl-2,3-dihydro-1H-indole-4-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propyl-2,3-dihydro-1H-indole-4-carboxylate is sourced from PubChem (CID 118050194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).