ethane;1-ethyl-4-methoxypyrrolidin-3-ol

C9H21NO2 — CID 176573528

IUPACethane;1-ethyl-4-methoxypyrrolidin-3-ol
SMILESCC.CCN1CC(O)C(OC)C1
InChIInChI=1S/C7H15NO2.C2H6/c1-3-8-4-6(9)7(5-8)10-2;1-2/h6-7,9H,3-5H2,1-2H3;1-2H3
InChIKeyZVIPFUOQNBUKPD-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.72
Rot. Bonds2

About ethane;1-ethyl-4-methoxypyrrolidin-3-ol

ethane;1-ethyl-4-methoxypyrrolidin-3-ol (PubChem CID 176573528) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is ethane;1-ethyl-4-methoxypyrrolidin-3-ol.

Molecular Properties

Compound Nameethane;1-ethyl-4-methoxypyrrolidin-3-ol
PubChem CID176573528
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Nameethane;1-ethyl-4-methoxypyrrolidin-3-ol
SMILESCC.CCN1CC(O)C(OC)C1
InChIInChI=1S/C7H15NO2.C2H6/c1-3-8-4-6(9)7(5-8)10-2;1-2/h6-7,9H,3-5H2,1-2H3;1-2H3
InChIKeyZVIPFUOQNBUKPD-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-ethyl-4-(3-methylbutoxy)pyrrolidin-3-ol
CID 144899615
2-[(3S,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid
CID 129499607
1-ethyl-3-methoxy-4-methylpyrrolidine
CID 91075489
S-(1-ethyl-4-methoxypyrrolidin-3-yl)thiohydroxylamine
CID 137403857
4-(2-chlorophenoxy)-1-ethylpyrrolidin-3-ol
CID 13320195
(3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol
CID 126793647
(3S,4S)-1-ethyl-4-naphthalen-1-yloxypyrrolidin-3-ol
CID 22826654
(3R,4R)-4-methoxy-1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-ol
CID 131015087
ethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone
CID 143657767
N-(1-ethyl-4-methoxypyrrolidin-3-yl)sulfanylformamide
CID 142513188
(3S,4R)-1-(1,2-dihydropyridin-4-ylmethyl)-4-methoxypyrrolidin-3-ol
CID 175887740
1-ethylazetidin-3-ol;hydrochloride
CID 57415896

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-methoxypyrrolidin-3-ol?
The IUPAC name of ethane;1-ethyl-4-methoxypyrrolidin-3-ol (CID 176573528) is ethane;1-ethyl-4-methoxypyrrolidin-3-ol.
What is the SMILES notation for ethane;1-ethyl-4-methoxypyrrolidin-3-ol?
The canonical SMILES for ethane;1-ethyl-4-methoxypyrrolidin-3-ol is CC.CCN1CC(O)C(OC)C1.
What is the InChIKey of ethane;1-ethyl-4-methoxypyrrolidin-3-ol?
The InChIKey is ZVIPFUOQNBUKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C2H6/c1-3-8-4-6(9)7(5-8)10-2;1-2/h6-7,9H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-methoxypyrrolidin-3-ol?
ethane;1-ethyl-4-methoxypyrrolidin-3-ol has a molecular weight of 175.27 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-methoxypyrrolidin-3-ol is sourced from PubChem (CID 176573528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).