propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate

C13H17NO2 — CID 133062973

IUPACpropan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate
SMILESCC(C)OC(=O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C13H17NO2/c1-9(2)16-13(15)11-4-5-12-10(8-11)6-7-14(12)3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyLEMQCMIVVWIYQV-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.24
Rot. Bonds2

About propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate

propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate (PubChem CID 133062973) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate
PubChem CID133062973
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namepropan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate
SMILESCC(C)OC(=O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C13H17NO2/c1-9(2)16-13(15)11-4-5-12-10(8-11)6-7-14(12)3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyLEMQCMIVVWIYQV-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 1-methyl-2,3-dihydroindole-5-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

ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 142338422
propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
CID 60704491
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110485510
1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 58575703
propan-2-yl 2-(2-aminoethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate
CID 170959483
methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
[(2S)-1-amino-1-oxopropan-2-yl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 8783625
1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol
CID 79567530
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 110485530
2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide
CID 62095835
3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile
CID 62094944

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate?
The IUPAC name of propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate (CID 133062973) is propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate is CC(C)OC(=O)c1ccc2c(c1)CCN2C.
What is the InChIKey of propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate?
The InChIKey is LEMQCMIVVWIYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)16-13(15)11-4-5-12-10(8-11)6-7-14(12)3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate?
propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 133062973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).