ethane;pyrrolidin-2-one

C10H25NO — CID 54451151

IUPACethane;pyrrolidin-2-one
SMILESCC.CC.CC.O=C1CCCN1
InChIInChI=1S/C4H7NO.3C2H6/c6-4-2-1-3-5-4;3*1-2/h1-3H2,(H,5,6);3*1-2H3
InChIKeyWVBCRDXHMVGRHB-UHFFFAOYSA-N
MW175.32 g/mol
LogP2.97
Rot. Bonds

About ethane;pyrrolidin-2-one

ethane;pyrrolidin-2-one (PubChem CID 54451151) has the molecular formula C10H25NO and a molecular weight of 175.32 g/mol. Its IUPAC name is ethane;pyrrolidin-2-one.

Molecular Properties

Compound Nameethane;pyrrolidin-2-one
PubChem CID54451151
Molecular FormulaC10H25NO
Molecular Weight175.32 g/mol
Exact Mass175.19
IUPAC Nameethane;pyrrolidin-2-one
SMILESCC.CC.CC.O=C1CCCN1
InChIInChI=1S/C4H7NO.3C2H6/c6-4-2-1-3-5-4;3*1-2/h1-3H2,(H,5,6);3*1-2H3
InChIKeyWVBCRDXHMVGRHB-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;pyrrolidin-2-one?
The IUPAC name of ethane;pyrrolidin-2-one (CID 54451151) is ethane;pyrrolidin-2-one.
What is the SMILES notation for ethane;pyrrolidin-2-one?
The canonical SMILES for ethane;pyrrolidin-2-one is CC.CC.CC.O=C1CCCN1.
What is the InChIKey of ethane;pyrrolidin-2-one?
The InChIKey is WVBCRDXHMVGRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.3C2H6/c6-4-2-1-3-5-4;3*1-2/h1-3H2,(H,5,6);3*1-2H3.
What are the key properties of ethane;pyrrolidin-2-one?
ethane;pyrrolidin-2-one has a molecular weight of 175.32 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyrrolidin-2-one is sourced from PubChem (CID 54451151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).