5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen

C18H28N2O — CID 169244365

IUPAC5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen
SMILESCN1CCC[C@@H]1CC1CNc2ccc(OCC3CC3)cc21.[H][H]
InChIInChI=1S/C18H26N2O.H2/c1-20-8-2-3-15(20)9-14-11-19-18-7-6-16(10-17(14)18)21-12-13-4-5-13;/h6-7,10,13-15,19H,2-5,8-9,11-12H2,1H3;1H/t14?,15-;/m1./s1
InChIKeyXCSRILCPMXLMQZ-NUNOUFIPSA-N
MW288.43 g/mol
LogP3.71
Rot. Bonds5

About 5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen

5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen (PubChem CID 169244365) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen
PubChem CID169244365
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen
SMILESCN1CCC[C@@H]1CC1CNc2ccc(OCC3CC3)cc21.[H][H]
InChIInChI=1S/C18H26N2O.H2/c1-20-8-2-3-15(20)9-14-11-19-18-7-6-16(10-17(14)18)21-12-13-4-5-13;/h6-7,10,13-15,19H,2-5,8-9,11-12H2,1H3;1H/t14?,15-;/m1./s1
InChIKeyXCSRILCPMXLMQZ-NUNOUFIPSA-N
XLogP3.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.71
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

5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole
CID 169244438
methylidene-[[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]oxy]-λ3-iodane
CID 169244522
3-[(1-methylpyrrolidin-2-yl)methyl]-5-(oxan-4-yloxy)-2,3-dihydro-1H-indole
CID 169244525
(3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
CID 169244473
(2R)-2-[[5-(cyclopropylmethoxy)-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpyrrolidine
CID 178102579
(3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole
CID 169244389
(3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
CID 169244502
4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole
CID 169244402
(2R)-2-[[(1S)-6-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine
CID 178102376
2-[[6-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine
CID 178102576
3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010
3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol
CID 78358010

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen?
The IUPAC name of 5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen (CID 169244365) is 5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen.
What is the SMILES notation for 5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen?
The canonical SMILES for 5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen is CN1CCC[C@@H]1CC1CNc2ccc(OCC3CC3)cc21.[H][H].
What is the InChIKey of 5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen?
The InChIKey is XCSRILCPMXLMQZ-NUNOUFIPSA-N. The full InChI is InChI=1S/C18H26N2O.H2/c1-20-8-2-3-15(20)9-14-11-19-18-7-6-16(10-17(14)18)21-12-13-4-5-13;/h6-7,10,13-15,19H,2-5,8-9,11-12H2,1H3;1H/t14?,15-;/m1./s1.
What are the key properties of 5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen?
5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen has a molecular weight of 288.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen is sourced from PubChem (CID 169244365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).