ethane;4-methylpyrrolidin-2-one;oxane

C12H25NO2 — CID 170582755

IUPACethane;4-methylpyrrolidin-2-one;oxane
SMILESC1CCOCC1.CC.CC1CNC(=O)C1
InChIInChI=1S/C5H9NO.C5H10O.C2H6/c1-4-2-5(7)6-3-4;1-2-4-6-5-3-1;1-2/h4H,2-3H2,1H3,(H,6,7);1-5H2;1-2H3
InChIKeyNFERHJJYNDCQQN-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.36
Rot. Bonds

About ethane;4-methylpyrrolidin-2-one;oxane

ethane;4-methylpyrrolidin-2-one;oxane (PubChem CID 170582755) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;4-methylpyrrolidin-2-one;oxane.

Molecular Properties

Compound Nameethane;4-methylpyrrolidin-2-one;oxane
PubChem CID170582755
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;4-methylpyrrolidin-2-one;oxane
SMILESC1CCOCC1.CC.CC1CNC(=O)C1
InChIInChI=1S/C5H9NO.C5H10O.C2H6/c1-4-2-5(7)6-3-4;1-2-4-6-5-3-1;1-2/h4H,2-3H2,1H3,(H,6,7);1-5H2;1-2H3
InChIKeyNFERHJJYNDCQQN-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methylpyrrolidin-2-one;oxane?
The IUPAC name of ethane;4-methylpyrrolidin-2-one;oxane (CID 170582755) is ethane;4-methylpyrrolidin-2-one;oxane.
What is the SMILES notation for ethane;4-methylpyrrolidin-2-one;oxane?
The canonical SMILES for ethane;4-methylpyrrolidin-2-one;oxane is C1CCOCC1.CC.CC1CNC(=O)C1.
What is the InChIKey of ethane;4-methylpyrrolidin-2-one;oxane?
The InChIKey is NFERHJJYNDCQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C5H10O.C2H6/c1-4-2-5(7)6-3-4;1-2-4-6-5-3-1;1-2/h4H,2-3H2,1H3,(H,6,7);1-5H2;1-2H3.
What are the key properties of ethane;4-methylpyrrolidin-2-one;oxane?
ethane;4-methylpyrrolidin-2-one;oxane has a molecular weight of 215.34 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylpyrrolidin-2-one;oxane is sourced from PubChem (CID 170582755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).