ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol

C9H21NO2 — CID 164904424

IUPACethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol
SMILESCC.COC1CN(C)CC1CO
InChIInChI=1S/C7H15NO2.C2H6/c1-8-3-6(5-9)7(4-8)10-2;1-2/h6-7,9H,3-5H2,1-2H3;1-2H3
InChIKeyZZYYINAYVYHDPW-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.58
Rot. Bonds2

About ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol

ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol (PubChem CID 164904424) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Nameethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol
PubChem CID164904424
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Nameethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol
SMILESCC.COC1CN(C)CC1CO
InChIInChI=1S/C7H15NO2.C2H6/c1-8-3-6(5-9)7(4-8)10-2;1-2/h6-7,9H,3-5H2,1-2H3;1-2H3
InChIKeyZZYYINAYVYHDPW-UHFFFAOYSA-N
XLogP0.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3,4-dimethoxy-1-methylpyrrolidine
CID 59319954
[3-methoxy-1-(phosphanylmethyl)piperidin-4-yl]methanol
CID 23382287
(3R,4R)-4-methoxy-1-methylpyrrolidin-3-amine;dihydrochloride
CID 112756853
[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol
CID 147748171
(3S,4S)-3-methoxy-1,4-dimethylpyrrolidine
CID 139364384
4-methoxy-1-methylpyrrolidine-3-sulfonamide
CID 137403318
[(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 177157260
(3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride
CID 172714934
[4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol
CID 59408053
ethane;(3R)-3-methoxy-1-methylpiperidin-4-amine
CID 145443384
[(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
CID 99987286
2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol
CID 90337746

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol?
The IUPAC name of ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol (CID 164904424) is ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol.
What is the SMILES notation for ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol?
The canonical SMILES for ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol is CC.COC1CN(C)CC1CO.
What is the InChIKey of ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol?
The InChIKey is ZZYYINAYVYHDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C2H6/c1-8-3-6(5-9)7(4-8)10-2;1-2/h6-7,9H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol?
ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol has a molecular weight of 175.27 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 164904424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).