1,3,4-trimethyl-5-propan-2-ylidenepyrrolidin-2-one

C10H17NO — CID 20695519

IUPAC1,3,4-trimethyl-5-propan-2-ylidenepyrrolidin-2-one
SMILESCC(C)=C1C(C)C(C)C(=O)N1C
InChIInChI=1S/C10H17NO/c1-6(2)9-7(3)8(4)10(12)11(9)5/h7-8H,1-5H3
InChIKeyGWPZGIGJJGBWJY-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.02
Rot. Bonds

About 1,3,4-trimethyl-5-propan-2-ylidenepyrrolidin-2-one

1,3,4-trimethyl-5-propan-2-ylidenepyrrolidin-2-one (PubChem CID 20695519) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1,3,4-trimethyl-5-propan-2-ylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1,3,4-trimethyl-5-propan-2-ylidenepyrrolidin-2-one
PubChem CID20695519
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1,3,4-trimethyl-5-propan-2-ylidenepyrrolidin-2-one
SMILESCC(C)=C1C(C)C(C)C(=O)N1C
InChIInChI=1S/C10H17NO/c1-6(2)9-7(3)8(4)10(12)11(9)5/h7-8H,1-5H3
InChIKeyGWPZGIGJJGBWJY-UHFFFAOYSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-5-propan-2-ylidenepyrrolidin-2-one?
The IUPAC name of 1,3,4-trimethyl-5-propan-2-ylidenepyrrolidin-2-one (CID 20695519) is 1,3,4-trimethyl-5-propan-2-ylidenepyrrolidin-2-one.
What is the SMILES notation for 1,3,4-trimethyl-5-propan-2-ylidenepyrrolidin-2-one?
The canonical SMILES for 1,3,4-trimethyl-5-propan-2-ylidenepyrrolidin-2-one is CC(C)=C1C(C)C(C)C(=O)N1C.
What is the InChIKey of 1,3,4-trimethyl-5-propan-2-ylidenepyrrolidin-2-one?
The InChIKey is GWPZGIGJJGBWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-6(2)9-7(3)8(4)10(12)11(9)5/h7-8H,1-5H3.
What are the key properties of 1,3,4-trimethyl-5-propan-2-ylidenepyrrolidin-2-one?
1,3,4-trimethyl-5-propan-2-ylidenepyrrolidin-2-one has a molecular weight of 167.25 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-5-propan-2-ylidenepyrrolidin-2-one is sourced from PubChem (CID 20695519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).