ethane;1-(5-methylpyrrolidin-2-yl)ethanone

C9H19NO — CID 145078536

IUPACethane;1-(5-methylpyrrolidin-2-yl)ethanone
SMILESCC.CC(=O)C1CCC(C)N1
InChIInChI=1S/C7H13NO.C2H6/c1-5-3-4-7(8-5)6(2)9;1-2/h5,7-8H,3-4H2,1-2H3;1-2H3
InChIKeyLBXYASCUMADCHA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.74
Rot. Bonds1

About ethane;1-(5-methylpyrrolidin-2-yl)ethanone

ethane;1-(5-methylpyrrolidin-2-yl)ethanone (PubChem CID 145078536) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is ethane;1-(5-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(5-methylpyrrolidin-2-yl)ethanone
PubChem CID145078536
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nameethane;1-(5-methylpyrrolidin-2-yl)ethanone
SMILESCC.CC(=O)C1CCC(C)N1
InChIInChI=1S/C7H13NO.C2H6/c1-5-3-4-7(8-5)6(2)9;1-2/h5,7-8H,3-4H2,1-2H3;1-2H3
InChIKeyLBXYASCUMADCHA-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
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;1-(5-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of ethane;1-(5-methylpyrrolidin-2-yl)ethanone (CID 145078536) is ethane;1-(5-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for ethane;1-(5-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for ethane;1-(5-methylpyrrolidin-2-yl)ethanone is CC.CC(=O)C1CCC(C)N1.
What is the InChIKey of ethane;1-(5-methylpyrrolidin-2-yl)ethanone?
The InChIKey is LBXYASCUMADCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H6/c1-5-3-4-7(8-5)6(2)9;1-2/h5,7-8H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(5-methylpyrrolidin-2-yl)ethanone?
ethane;1-(5-methylpyrrolidin-2-yl)ethanone has a molecular weight of 157.26 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;1-(5-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 145078536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).