[(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

C15H20N2O2 — CID 64597075

IUPAC[(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)[C@@H]2Cc3ccccc3N2)C1
InChIInChI=1S/C15H20N2O2/c1-19-10-11-6-7-17(9-11)15(18)14-8-12-4-2-3-5-13(12)16-14/h2-5,11,14,16H,6-10H2,1H3/t11?,14-/m0/s1
InChIKeyNBZZZOMPBAUJDO-IAXJKZSUSA-N
MW260.34 g/mol
LogP1.52
Rot. Bonds3

About [(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

[(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 64597075) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID64597075
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)[C@@H]2Cc3ccccc3N2)C1
InChIInChI=1S/C15H20N2O2/c1-19-10-11-6-7-17(9-11)15(18)14-8-12-4-2-3-5-13(12)16-14/h2-5,11,14,16H,6-10H2,1H3/t11?,14-/m0/s1
InChIKeyNBZZZOMPBAUJDO-IAXJKZSUSA-N
XLogP1.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
[(2R)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591695
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591703
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 124591728
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356430
methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 76894114
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 106586999
2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 77002747
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 124574751
2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 77002717

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 64597075) is [(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is COCC1CCN(C(=O)[C@@H]2Cc3ccccc3N2)C1.
What is the InChIKey of [(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is NBZZZOMPBAUJDO-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-10-11-6-7-17(9-11)15(18)14-8-12-4-2-3-5-13(12)16-14/h2-5,11,14,16H,6-10H2,1H3/t11?,14-/m0/s1.
What are the key properties of [(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
[(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 260.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 64597075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).