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

C18H27NO — CID 178102733

IUPAC(2R)-1-methyl-2-[(6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
SMILESCC(C)Oc1ccc2c(c1)C(C[C@H]1CCCN1C)CC2
InChIInChI=1S/C18H27NO/c1-13(2)20-17-9-8-14-6-7-15(18(14)12-17)11-16-5-4-10-19(16)3/h8-9,12-13,15-16H,4-7,10-11H2,1-3H3/t15?,16-/m1/s1
InChIKeyUXQLUYXANKBVQZ-OEMAIJDKSA-N
MW273.42 g/mol
LogP3.99
Rot. Bonds4

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

(2R)-1-methyl-2-[(6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine (PubChem CID 178102733) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (2R)-1-methyl-2-[(6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-1-methyl-2-[(6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
PubChem CID178102733
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(2R)-1-methyl-2-[(6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
SMILESCC(C)Oc1ccc2c(c1)C(C[C@H]1CCCN1C)CC2
InChIInChI=1S/C18H27NO/c1-13(2)20-17-9-8-14-6-7-15(18(14)12-17)11-16-5-4-10-19(16)3/h8-9,12-13,15-16H,4-7,10-11H2,1-3H3/t15?,16-/m1/s1
InChIKeyUXQLUYXANKBVQZ-OEMAIJDKSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-2-[(6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine?
The IUPAC name of (2R)-1-methyl-2-[(6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine (CID 178102733) is (2R)-1-methyl-2-[(6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine.
What is the SMILES notation for (2R)-1-methyl-2-[(6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine?
The canonical SMILES for (2R)-1-methyl-2-[(6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine is CC(C)Oc1ccc2c(c1)C(C[C@H]1CCCN1C)CC2.
What is the InChIKey of (2R)-1-methyl-2-[(6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine?
The InChIKey is UXQLUYXANKBVQZ-OEMAIJDKSA-N. The full InChI is InChI=1S/C18H27NO/c1-13(2)20-17-9-8-14-6-7-15(18(14)12-17)11-16-5-4-10-19(16)3/h8-9,12-13,15-16H,4-7,10-11H2,1-3H3/t15?,16-/m1/s1.
What are the key properties of (2R)-1-methyl-2-[(6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine?
(2R)-1-methyl-2-[(6-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-[(6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine is sourced from PubChem (CID 178102733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).