methyl (3S,4S)-1-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethylpyrrolidine-3-carboxylate

C17H24N2O2 — CID 120849440

IUPACmethyl (3S,4S)-1-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethylpyrrolidine-3-carboxylate
SMILESCOC(=O)[C@]1(C)CN(Cc2cccc3c2NCC3)C[C@H]1C
InChIInChI=1S/C17H24N2O2/c1-12-9-19(11-17(12,2)16(20)21-3)10-14-6-4-5-13-7-8-18-15(13)14/h4-6,12,18H,7-11H2,1-3H3/t12-,17-/m1/s1
InChIKeyDLGXCCGGBAIOOX-SJKOYZFVSA-N
MW288.39 g/mol
LogP2.29
Rot. Bonds3

About methyl (3S,4S)-1-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethylpyrrolidine-3-carboxylate

methyl (3S,4S)-1-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethylpyrrolidine-3-carboxylate (PubChem CID 120849440) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is methyl (3S,4S)-1-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S,4S)-1-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethylpyrrolidine-3-carboxylate
PubChem CID120849440
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namemethyl (3S,4S)-1-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethylpyrrolidine-3-carboxylate
SMILESCOC(=O)[C@]1(C)CN(Cc2cccc3c2NCC3)C[C@H]1C
InChIInChI=1S/C17H24N2O2/c1-12-9-19(11-17(12,2)16(20)21-3)10-14-6-4-5-13-7-8-18-15(13)14/h4-6,12,18H,7-11H2,1-3H3/t12-,17-/m1/s1
InChIKeyDLGXCCGGBAIOOX-SJKOYZFVSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (3S,4S)-1-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethylpyrrolidine-3-carboxylate with MolForge

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Related Compounds

methyl (3S,4S)-1-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethylpyrrolidine-3-carboxylate;hydrochloride
CID 120849439
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2,6-trimethylmorpholine
CID 114327180
methyl (3S,4S)-1-benzyl-3,4-dimethylpyrrolidine-3-carboxylate
CID 135055291
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine
CID 113278018
7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277959
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-dimethylmorpholine
CID 113277982
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 114327054
7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 120849963
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120857770
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4S)-1-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethylpyrrolidine-3-carboxylate?
The IUPAC name of methyl (3S,4S)-1-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethylpyrrolidine-3-carboxylate (CID 120849440) is methyl (3S,4S)-1-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3S,4S)-1-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3S,4S)-1-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethylpyrrolidine-3-carboxylate is COC(=O)[C@]1(C)CN(Cc2cccc3c2NCC3)C[C@H]1C.
What is the InChIKey of methyl (3S,4S)-1-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethylpyrrolidine-3-carboxylate?
The InChIKey is DLGXCCGGBAIOOX-SJKOYZFVSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-9-19(11-17(12,2)16(20)21-3)10-14-6-4-5-13-7-8-18-15(13)14/h4-6,12,18H,7-11H2,1-3H3/t12-,17-/m1/s1.
What are the key properties of methyl (3S,4S)-1-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethylpyrrolidine-3-carboxylate?
methyl (3S,4S)-1-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethylpyrrolidine-3-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4S)-1-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 120849440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).