ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol

C10H23NO2 — CID 177009838

IUPACethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol
SMILESCC.CO[C@@H](C)[C@@H]1[C@@H](O)CCN1C
InChIInChI=1S/C8H17NO2.C2H6/c1-6(11-3)8-7(10)4-5-9(8)2;1-2/h6-8,10H,4-5H2,1-3H3;1-2H3/t6-,7-,8+;/m0./s1
InChIKeyZRYQDFFAJACZEO-CGJXVAEWSA-N
MW189.30 g/mol
LogP1.11
Rot. Bonds2

About ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol

ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol (PubChem CID 177009838) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Nameethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol
PubChem CID177009838
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Nameethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol
SMILESCC.CO[C@@H](C)[C@@H]1[C@@H](O)CCN1C
InChIInChI=1S/C8H17NO2.C2H6/c1-6(11-3)8-7(10)4-5-9(8)2;1-2/h6-8,10H,4-5H2,1-3H3;1-2H3/t6-,7-,8+;/m0./s1
InChIKeyZRYQDFFAJACZEO-CGJXVAEWSA-N
XLogP1.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol?
The IUPAC name of ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol (CID 177009838) is ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol.
What is the SMILES notation for ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol?
The canonical SMILES for ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol is CC.CO[C@@H](C)[C@@H]1[C@@H](O)CCN1C.
What is the InChIKey of ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol?
The InChIKey is ZRYQDFFAJACZEO-CGJXVAEWSA-N. The full InChI is InChI=1S/C8H17NO2.C2H6/c1-6(11-3)8-7(10)4-5-9(8)2;1-2/h6-8,10H,4-5H2,1-3H3;1-2H3/t6-,7-,8+;/m0./s1.
What are the key properties of ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol?
ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol has a molecular weight of 189.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 177009838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).