methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate

C17H21NO3 — CID 112733683

IUPACmethyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C17H21NO3/c1-21-17(20)15-7-8-18(11-15)16(19)10-12-5-6-13-3-2-4-14(13)9-12/h5-6,9,15H,2-4,7-8,10-11H2,1H3
InChIKeyMVDOPAJCAANZLJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.74
Rot. Bonds3

About methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate

methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate (PubChem CID 112733683) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate
PubChem CID112733683
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namemethyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C17H21NO3/c1-21-17(20)15-7-8-18(11-15)16(19)10-12-5-6-13-3-2-4-14(13)9-12/h5-6,9,15H,2-4,7-8,10-11H2,1H3
InChIKeyMVDOPAJCAANZLJ-UHFFFAOYSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-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

2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
(3S,4S)-1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-methylpiperidine-4-carboxylic acid
CID 138032534
methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate
CID 78966837
methyl (3S)-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919538
1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 127247906
2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115775126
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 115746612
2-chloro-N-[3-ethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetamide
CID 154874702
methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate
CID 113226248
methyl 1-[2-(2,6-dichlorophenyl)acetyl]pyrrolidine-3-carboxylate
CID 112733652
methyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate
CID 170456736

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate (CID 112733683) is methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)Cc2ccc3c(c2)CCC3)C1.
What is the InChIKey of methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate?
The InChIKey is MVDOPAJCAANZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-21-17(20)15-7-8-18(11-15)16(19)10-12-5-6-13-3-2-4-14(13)9-12/h5-6,9,15H,2-4,7-8,10-11H2,1H3.
What are the key properties of methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate?
methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 112733683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).