1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one

C19H27NO2 — CID 139785240

IUPAC1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one
SMILESCCC(CN1CCCC1)C(=O)C1CCc2c(OC)cccc21
InChIInChI=1S/C19H27NO2/c1-3-14(13-20-11-4-5-12-20)19(21)17-10-9-16-15(17)7-6-8-18(16)22-2/h6-8,14,17H,3-5,9-13H2,1-2H3
InChIKeyMMUGCGYHUNGJMS-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.42
Rot. Bonds6

About 1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one

1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one (PubChem CID 139785240) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one
PubChem CID139785240
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one
SMILESCCC(CN1CCCC1)C(=O)C1CCc2c(OC)cccc21
InChIInChI=1S/C19H27NO2/c1-3-14(13-20-11-4-5-12-20)19(21)17-10-9-16-15(17)7-6-8-18(16)22-2/h6-8,14,17H,3-5,9-13H2,1-2H3
InChIKeyMMUGCGYHUNGJMS-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 83910520
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CID 19021486
4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide
CID 135309984
2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
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1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone
CID 10830296
5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057140
ethyl 2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetate
CID 125464098
1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
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[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10535755
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione;dihydrochloride
CID 3064490
2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one?
The IUPAC name of 1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one (CID 139785240) is 1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one.
What is the SMILES notation for 1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one?
The canonical SMILES for 1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one is CCC(CN1CCCC1)C(=O)C1CCc2c(OC)cccc21.
What is the InChIKey of 1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one?
The InChIKey is MMUGCGYHUNGJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-3-14(13-20-11-4-5-12-20)19(21)17-10-9-16-15(17)7-6-8-18(16)22-2/h6-8,14,17H,3-5,9-13H2,1-2H3.
What are the key properties of 1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one?
1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one has a molecular weight of 301.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one is sourced from PubChem (CID 139785240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).