1,4-dimethyl-5-propa-1,2-dienylidenepyrrolidin-2-one

C9H11NO — CID 91303297

IUPAC1,4-dimethyl-5-propa-1,2-dienylidenepyrrolidin-2-one
SMILESC=C=C=C1C(C)CC(=O)N1C
InChIInChI=1S/C9H11NO/c1-4-5-8-7(2)6-9(11)10(8)3/h7H,1,6H2,2-3H3
InChIKeyKCPBMYYJHABFNL-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.31
Rot. Bonds

About 1,4-dimethyl-5-propa-1,2-dienylidenepyrrolidin-2-one

1,4-dimethyl-5-propa-1,2-dienylidenepyrrolidin-2-one (PubChem CID 91303297) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1,4-dimethyl-5-propa-1,2-dienylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-5-propa-1,2-dienylidenepyrrolidin-2-one
PubChem CID91303297
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1,4-dimethyl-5-propa-1,2-dienylidenepyrrolidin-2-one
SMILESC=C=C=C1C(C)CC(=O)N1C
InChIInChI=1S/C9H11NO/c1-4-5-8-7(2)6-9(11)10(8)3/h7H,1,6H2,2-3H3
InChIKeyKCPBMYYJHABFNL-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-propa-1,2-dienylidenepyrrolidin-2-one?
The IUPAC name of 1,4-dimethyl-5-propa-1,2-dienylidenepyrrolidin-2-one (CID 91303297) is 1,4-dimethyl-5-propa-1,2-dienylidenepyrrolidin-2-one.
What is the SMILES notation for 1,4-dimethyl-5-propa-1,2-dienylidenepyrrolidin-2-one?
The canonical SMILES for 1,4-dimethyl-5-propa-1,2-dienylidenepyrrolidin-2-one is C=C=C=C1C(C)CC(=O)N1C.
What is the InChIKey of 1,4-dimethyl-5-propa-1,2-dienylidenepyrrolidin-2-one?
The InChIKey is KCPBMYYJHABFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-4-5-8-7(2)6-9(11)10(8)3/h7H,1,6H2,2-3H3.
What are the key properties of 1,4-dimethyl-5-propa-1,2-dienylidenepyrrolidin-2-one?
1,4-dimethyl-5-propa-1,2-dienylidenepyrrolidin-2-one has a molecular weight of 149.19 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-propa-1,2-dienylidenepyrrolidin-2-one is sourced from PubChem (CID 91303297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).