1,4-diethyl-5-methylidenepyrrolidin-2-one

C9H15NO — CID 59801864

IUPAC1,4-diethyl-5-methylidenepyrrolidin-2-one
SMILESC=C1C(CC)CC(=O)N1CC
InChIInChI=1S/C9H15NO/c1-4-8-6-9(11)10(5-2)7(8)3/h8H,3-6H2,1-2H3
InChIKeyVCYNMDZRSOZKDU-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.78
Rot. Bonds2

About 1,4-diethyl-5-methylidenepyrrolidin-2-one

1,4-diethyl-5-methylidenepyrrolidin-2-one (PubChem CID 59801864) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1,4-diethyl-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1,4-diethyl-5-methylidenepyrrolidin-2-one
PubChem CID59801864
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1,4-diethyl-5-methylidenepyrrolidin-2-one
SMILESC=C1C(CC)CC(=O)N1CC
InChIInChI=1S/C9H15NO/c1-4-8-6-9(11)10(5-2)7(8)3/h8H,3-6H2,1-2H3
InChIKeyVCYNMDZRSOZKDU-UHFFFAOYSA-N
XLogP1.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-5-methylidenepyrrolidin-2-one?
The IUPAC name of 1,4-diethyl-5-methylidenepyrrolidin-2-one (CID 59801864) is 1,4-diethyl-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1,4-diethyl-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 1,4-diethyl-5-methylidenepyrrolidin-2-one is C=C1C(CC)CC(=O)N1CC.
What is the InChIKey of 1,4-diethyl-5-methylidenepyrrolidin-2-one?
The InChIKey is VCYNMDZRSOZKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-8-6-9(11)10(5-2)7(8)3/h8H,3-6H2,1-2H3.
What are the key properties of 1,4-diethyl-5-methylidenepyrrolidin-2-one?
1,4-diethyl-5-methylidenepyrrolidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 59801864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).