(2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine

C18H27NO3 — CID 178102701

IUPAC(2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
SMILESCOc1cc2c(c(OC)c1OC)CCC2C[C@H]1CCCN1C
InChIInChI=1S/C18H27NO3/c1-19-9-5-6-13(19)10-12-7-8-14-15(12)11-16(20-2)18(22-4)17(14)21-3/h11-13H,5-10H2,1-4H3/t12?,13-/m1/s1
InChIKeyYGTGSFQORQLZIZ-ZGTCLIOFSA-N
MW305.42 g/mol
LogP3.23
Rot. Bonds5

About (2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine

(2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine (PubChem CID 178102701) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
PubChem CID178102701
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
SMILESCOc1cc2c(c(OC)c1OC)CCC2C[C@H]1CCCN1C
InChIInChI=1S/C18H27NO3/c1-19-9-5-6-13(19)10-12-7-8-14-15(12)11-16(20-2)18(22-4)17(14)21-3/h11-13H,5-10H2,1-4H3/t12?,13-/m1/s1
InChIKeyYGTGSFQORQLZIZ-ZGTCLIOFSA-N
XLogP3.23
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
CID 178102587
(2R)-2-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
CID 178102515
2-[(5,6-dimethoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine
CID 178102820
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
(2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine
CID 178102740
5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55109327
(1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014185
2-[[6-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine
CID 178102576
(2R)-2-[[(1S)-6-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine
CID 178102376
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine?
The IUPAC name of (2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine (CID 178102701) is (2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine.
What is the SMILES notation for (2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine?
The canonical SMILES for (2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine is COc1cc2c(c(OC)c1OC)CCC2C[C@H]1CCCN1C.
What is the InChIKey of (2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine?
The InChIKey is YGTGSFQORQLZIZ-ZGTCLIOFSA-N. The full InChI is InChI=1S/C18H27NO3/c1-19-9-5-6-13(19)10-12-7-8-14-15(12)11-16(20-2)18(22-4)17(14)21-3/h11-13H,5-10H2,1-4H3/t12?,13-/m1/s1.
What are the key properties of (2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine?
(2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine has a molecular weight of 305.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine is sourced from PubChem (CID 178102701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).