(3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole

C17H26N2O — CID 169244502

IUPAC(3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)[C@@H](C[C@H]1CCCN1C(C)C)CN2
InChIInChI=1S/C17H26N2O/c1-12(2)19-8-4-5-14(19)9-13-11-18-17-7-6-15(20-3)10-16(13)17/h6-7,10,12-14,18H,4-5,8-9,11H2,1-3H3/t13-,14+/m0/s1
InChIKeyMBXXIBVDYOAJIW-UONOGXRCSA-N
MW274.41 g/mol
LogP3.47
Rot. Bonds4

About (3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole

(3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole (PubChem CID 169244502) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
PubChem CID169244502
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)[C@@H](C[C@H]1CCCN1C(C)C)CN2
InChIInChI=1S/C17H26N2O/c1-12(2)19-8-4-5-14(19)9-13-11-18-17-7-6-15(20-3)10-16(13)17/h6-7,10,12-14,18H,4-5,8-9,11H2,1-3H3/t13-,14+/m0/s1
InChIKeyMBXXIBVDYOAJIW-UONOGXRCSA-N
XLogP3.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010
5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole
CID 169244438
5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986376
methylidene-[[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]oxy]-λ3-iodane
CID 169244522
(3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole
CID 169244389
5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen
CID 169244365
3-[(1-methylpyrrolidin-2-yl)methyl]-5-(oxan-4-yloxy)-2,3-dihydro-1H-indole
CID 169244525
(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
CID 124549466
5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115004341
3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106985791
2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83860328
2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine
CID 178102472

Frequently Asked Questions

What is the IUPAC name of (3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole?
The IUPAC name of (3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole (CID 169244502) is (3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for (3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for (3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole is COc1ccc2c(c1)[C@@H](C[C@H]1CCCN1C(C)C)CN2.
What is the InChIKey of (3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole?
The InChIKey is MBXXIBVDYOAJIW-UONOGXRCSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)19-8-4-5-14(19)9-13-11-18-17-7-6-15(20-3)10-16(13)17/h6-7,10,12-14,18H,4-5,8-9,11H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole?
(3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole has a molecular weight of 274.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 169244502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).