ethane;(3S)-1-(2-methoxyethyl)-3-methylpyrrolidine

C10H23NO — CID 145013449

IUPACethane;(3S)-1-(2-methoxyethyl)-3-methylpyrrolidine
SMILESCC.COCCN1CC[C@H](C)C1
InChIInChI=1S/C8H17NO.C2H6/c1-8-3-4-9(7-8)5-6-10-2;1-2/h8H,3-7H2,1-2H3;1-2H3/t8-;/m0./s1
InChIKeyQLNHHVFOYWPSTK-QRPNPIFTSA-N
MW173.30 g/mol
LogP2.00
Rot. Bonds3

About ethane;(3S)-1-(2-methoxyethyl)-3-methylpyrrolidine

ethane;(3S)-1-(2-methoxyethyl)-3-methylpyrrolidine (PubChem CID 145013449) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is ethane;(3S)-1-(2-methoxyethyl)-3-methylpyrrolidine.

Molecular Properties

Compound Nameethane;(3S)-1-(2-methoxyethyl)-3-methylpyrrolidine
PubChem CID145013449
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Nameethane;(3S)-1-(2-methoxyethyl)-3-methylpyrrolidine
SMILESCC.COCCN1CC[C@H](C)C1
InChIInChI=1S/C8H17NO.C2H6/c1-8-3-4-9(7-8)5-6-10-2;1-2/h8H,3-7H2,1-2H3;1-2H3/t8-;/m0./s1
InChIKeyQLNHHVFOYWPSTK-QRPNPIFTSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(3S)-1-(2-methoxyethyl)-3-methylpyrrolidine?
The IUPAC name of ethane;(3S)-1-(2-methoxyethyl)-3-methylpyrrolidine (CID 145013449) is ethane;(3S)-1-(2-methoxyethyl)-3-methylpyrrolidine.
What is the SMILES notation for ethane;(3S)-1-(2-methoxyethyl)-3-methylpyrrolidine?
The canonical SMILES for ethane;(3S)-1-(2-methoxyethyl)-3-methylpyrrolidine is CC.COCCN1CC[C@H](C)C1.
What is the InChIKey of ethane;(3S)-1-(2-methoxyethyl)-3-methylpyrrolidine?
The InChIKey is QLNHHVFOYWPSTK-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H17NO.C2H6/c1-8-3-4-9(7-8)5-6-10-2;1-2/h8H,3-7H2,1-2H3;1-2H3/t8-;/m0./s1.
What are the key properties of ethane;(3S)-1-(2-methoxyethyl)-3-methylpyrrolidine?
ethane;(3S)-1-(2-methoxyethyl)-3-methylpyrrolidine has a molecular weight of 173.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-1-(2-methoxyethyl)-3-methylpyrrolidine is sourced from PubChem (CID 145013449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).