1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-ol

C16H24N2O — CID 107684907

IUPAC1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-ol
SMILESCC1CN(C2CCc3cc(O)ccc32)CC1N(C)C
InChIInChI=1S/C16H24N2O/c1-11-9-18(10-16(11)17(2)3)15-7-4-12-8-13(19)5-6-14(12)15/h5-6,8,11,15-16,19H,4,7,9-10H2,1-3H3
InChIKeyFXTYQPQPNQGKFI-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.26
Rot. Bonds2

About 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-ol

1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107684907) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-ol
PubChem CID107684907
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-ol
SMILESCC1CN(C2CCc3cc(O)ccc32)CC1N(C)C
InChIInChI=1S/C16H24N2O/c1-11-9-18(10-16(11)17(2)3)15-7-4-12-8-13(19)5-6-14(12)15/h5-6,8,11,15-16,19H,4,7,9-10H2,1-3H3
InChIKeyFXTYQPQPNQGKFI-UHFFFAOYSA-N
XLogP2.26
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol
CID 129390892
(1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol
CID 129389365
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol
CID 107684985
5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 104961917
1-(4-ethylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-ol
CID 107684921
1-(2,2,6,6-tetramethylmorpholin-4-yl)-2,3-dihydro-1H-inden-5-ol
CID 107685147
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidin-3-amine
CID 103575624
(3S,4S)-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 114086353
5-tert-butyl-6-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 123939533
5-(4-ethylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82985819
N-(9-hydroxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylmethanesulfonamide;hydrochloride
CID 67567500
1-(3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1H-inden-5-ol
CID 107684922

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-ol (CID 107684907) is 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-ol is CC1CN(C2CCc3cc(O)ccc32)CC1N(C)C.
What is the InChIKey of 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is FXTYQPQPNQGKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-9-18(10-16(11)17(2)3)15-7-4-12-8-13(19)5-6-14(12)15/h5-6,8,11,15-16,19H,4,7,9-10H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-ol?
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 260.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107684907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).