ethane;1-methyl-5-methylidenepyrrolidin-2-one

C8H15NO — CID 142832893

IUPACethane;1-methyl-5-methylidenepyrrolidin-2-one
SMILESC=C1CCC(=O)N1C.CC
InChIInChI=1S/C6H9NO.C2H6/c1-5-3-4-6(8)7(5)2;1-2/h1,3-4H2,2H3;1-2H3
InChIKeyZSZKZBKDISFXJG-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.78
Rot. Bonds

About ethane;1-methyl-5-methylidenepyrrolidin-2-one

ethane;1-methyl-5-methylidenepyrrolidin-2-one (PubChem CID 142832893) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is ethane;1-methyl-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Nameethane;1-methyl-5-methylidenepyrrolidin-2-one
PubChem CID142832893
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameethane;1-methyl-5-methylidenepyrrolidin-2-one
SMILESC=C1CCC(=O)N1C.CC
InChIInChI=1S/C6H9NO.C2H6/c1-5-3-4-6(8)7(5)2;1-2/h1,3-4H2,2H3;1-2H3
InChIKeyZSZKZBKDISFXJG-UHFFFAOYSA-N
XLogP1.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-5-methylidenepyrrolidin-2-one?
The IUPAC name of ethane;1-methyl-5-methylidenepyrrolidin-2-one (CID 142832893) is ethane;1-methyl-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for ethane;1-methyl-5-methylidenepyrrolidin-2-one?
The canonical SMILES for ethane;1-methyl-5-methylidenepyrrolidin-2-one is C=C1CCC(=O)N1C.CC.
What is the InChIKey of ethane;1-methyl-5-methylidenepyrrolidin-2-one?
The InChIKey is ZSZKZBKDISFXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C2H6/c1-5-3-4-6(8)7(5)2;1-2/h1,3-4H2,2H3;1-2H3.
What are the key properties of ethane;1-methyl-5-methylidenepyrrolidin-2-one?
ethane;1-methyl-5-methylidenepyrrolidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 142832893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).