(2R)-1-methyl-2-[[6-(oxan-4-yl)-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine

C20H29NO — CID 178102685

IUPAC(2R)-1-methyl-2-[[6-(oxan-4-yl)-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
SMILESCN1CCC[C@@H]1CC1CCc2ccc(C3CCOCC3)cc21
InChIInChI=1S/C20H29NO/c1-21-10-2-3-19(21)13-18-7-5-16-4-6-17(14-20(16)18)15-8-11-22-12-9-15/h4,6,14-15,18-19H,2-3,5,7-13H2,1H3/t18?,19-/m1/s1
InChIKeyPNIFTNLHUQEKQX-MUMRKEEXSA-N
MW299.46 g/mol
LogP4.09
Rot. Bonds3

About (2R)-1-methyl-2-[[6-(oxan-4-yl)-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine

(2R)-1-methyl-2-[[6-(oxan-4-yl)-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine (PubChem CID 178102685) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is (2R)-1-methyl-2-[[6-(oxan-4-yl)-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-1-methyl-2-[[6-(oxan-4-yl)-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
PubChem CID178102685
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name(2R)-1-methyl-2-[[6-(oxan-4-yl)-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
SMILESCN1CCC[C@@H]1CC1CCc2ccc(C3CCOCC3)cc21
InChIInChI=1S/C20H29NO/c1-21-10-2-3-19(21)13-18-7-5-16-4-6-17(14-20(16)18)15-8-11-22-12-9-15/h4,6,14-15,18-19H,2-3,5,7-13H2,1H3/t18?,19-/m1/s1
InChIKeyPNIFTNLHUQEKQX-MUMRKEEXSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-methyl-2-[[(1S)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
CID 178102501
(2R)-1-methyl-2-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
CID 178102540
(2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
CID 178102594
(2R)-2-[[(1S)-6-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine
CID 178102639
(2R)-1-methyl-2-[[(1S)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
CID 178102640
(2R)-1-methyl-2-[[(1S)-1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl]methyl]pyrrolidine
CID 178102677
(2R)-1-methyl-2-[[(1R)-6-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
CID 178102757
2-[(2S)-1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]pyrrolidin-2-yl]ethanol
CID 53878513
(2S)-(2-hydroxyethyl)-1-[2-(indan-5-yl)ethyl]pyrrolidine
CID 53921776
3-[2-(2,3-dihydro-1H-inden-5-yl)propyl]-1-propan-2-ylpyrrolidine
CID 130223925
(3R)-8-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane
CID 134243134
(3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane
CID 134243137

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-2-[[6-(oxan-4-yl)-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine?
The IUPAC name of (2R)-1-methyl-2-[[6-(oxan-4-yl)-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine (CID 178102685) is (2R)-1-methyl-2-[[6-(oxan-4-yl)-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine.
What is the SMILES notation for (2R)-1-methyl-2-[[6-(oxan-4-yl)-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine?
The canonical SMILES for (2R)-1-methyl-2-[[6-(oxan-4-yl)-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine is CN1CCC[C@@H]1CC1CCc2ccc(C3CCOCC3)cc21.
What is the InChIKey of (2R)-1-methyl-2-[[6-(oxan-4-yl)-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine?
The InChIKey is PNIFTNLHUQEKQX-MUMRKEEXSA-N. The full InChI is InChI=1S/C20H29NO/c1-21-10-2-3-19(21)13-18-7-5-16-4-6-17(14-20(16)18)15-8-11-22-12-9-15/h4,6,14-15,18-19H,2-3,5,7-13H2,1H3/t18?,19-/m1/s1.
What are the key properties of (2R)-1-methyl-2-[[6-(oxan-4-yl)-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine?
(2R)-1-methyl-2-[[6-(oxan-4-yl)-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine has a molecular weight of 299.46 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-2-[[6-(oxan-4-yl)-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine is sourced from PubChem (CID 178102685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).