(2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine

C18H27NO — CID 178102711

IUPAC(2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
SMILESCC(C)Oc1cccc2c1[C@H](C[C@H]1CCCN1C)CC2
InChIInChI=1S/C18H27NO/c1-13(2)20-17-8-4-6-14-9-10-15(18(14)17)12-16-7-5-11-19(16)3/h4,6,8,13,15-16H,5,7,9-12H2,1-3H3/t15-,16+/m0/s1
InChIKeyQSUOLODIQYAIPJ-JKSUJKDBSA-N
MW273.42 g/mol
LogP3.99
Rot. Bonds4

About (2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine

(2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine (PubChem CID 178102711) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
PubChem CID178102711
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
SMILESCC(C)Oc1cccc2c1[C@H](C[C@H]1CCCN1C)CC2
InChIInChI=1S/C18H27NO/c1-13(2)20-17-8-4-6-14-9-10-15(18(14)17)12-16-7-5-11-19(16)3/h4,6,8,13,15-16H,5,7,9-12H2,1-3H3/t15-,16+/m0/s1
InChIKeyQSUOLODIQYAIPJ-JKSUJKDBSA-N
XLogP3.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
CID 178102594
(2R)-2-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
CID 178102515
(2R)-1-methyl-2-[(6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
CID 178102733
(2R)-1-methyl-2-[[(1R)-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
CID 178102473
(2R)-1-methyl-2-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
CID 178102540
(2R)-2-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
CID 178102587
8-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 112709110
(2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine
CID 178102740
3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol
CID 169244381
3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol
CID 78358010
1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol
CID 169244496
3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yloxy-2,3-dihydro-1-benzothiophene 1-oxide
CID 178102811

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine?
The IUPAC name of (2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine (CID 178102711) is (2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine.
What is the SMILES notation for (2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine?
The canonical SMILES for (2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine is CC(C)Oc1cccc2c1[C@H](C[C@H]1CCCN1C)CC2.
What is the InChIKey of (2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine?
The InChIKey is QSUOLODIQYAIPJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H27NO/c1-13(2)20-17-8-4-6-14-9-10-15(18(14)17)12-16-7-5-11-19(16)3/h4,6,8,13,15-16H,5,7,9-12H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of (2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine?
(2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine has a molecular weight of 273.42 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine is sourced from PubChem (CID 178102711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).