ethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol

C10H23NO — CID 166075678

IUPACethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol
SMILESCC.CN1CCC(C(C)(C)O)C1
InChIInChI=1S/C8H17NO.C2H6/c1-8(2,10)7-4-5-9(3)6-7;1-2/h7,10H,4-6H2,1-3H3;1-2H3
InChIKeyARRWHANIXCFUMW-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.74
Rot. Bonds1

About ethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol

ethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol (PubChem CID 166075678) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is ethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol.

Molecular Properties

Compound Nameethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol
PubChem CID166075678
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Nameethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol
SMILESCC.CN1CCC(C(C)(C)O)C1
InChIInChI=1S/C8H17NO.C2H6/c1-8(2,10)7-4-5-9(3)6-7;1-2/h7,10H,4-6H2,1-3H3;1-2H3
InChIKeyARRWHANIXCFUMW-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol?
The IUPAC name of ethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol (CID 166075678) is ethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol.
What is the SMILES notation for ethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol?
The canonical SMILES for ethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol is CC.CN1CCC(C(C)(C)O)C1.
What is the InChIKey of ethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol?
The InChIKey is ARRWHANIXCFUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C2H6/c1-8(2,10)7-4-5-9(3)6-7;1-2/h7,10H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol?
ethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol has a molecular weight of 173.30 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol is sourced from PubChem (CID 166075678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).