1,4-dimethyl-5-propan-2-ylidenepyrrol-2-one

C9H13NO — CID 134831218

IUPAC1,4-dimethyl-5-propan-2-ylidenepyrrol-2-one
SMILESCC1=CC(=O)N(C)C1=C(C)C
InChIInChI=1S/C9H13NO/c1-6(2)9-7(3)5-8(11)10(9)4/h5H,1-4H3
InChIKeyINHYTMQYRCOZNC-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.70
Rot. Bonds

About 1,4-dimethyl-5-propan-2-ylidenepyrrol-2-one

1,4-dimethyl-5-propan-2-ylidenepyrrol-2-one (PubChem CID 134831218) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,4-dimethyl-5-propan-2-ylidenepyrrol-2-one.

Molecular Properties

Compound Name1,4-dimethyl-5-propan-2-ylidenepyrrol-2-one
PubChem CID134831218
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1,4-dimethyl-5-propan-2-ylidenepyrrol-2-one
SMILESCC1=CC(=O)N(C)C1=C(C)C
InChIInChI=1S/C9H13NO/c1-6(2)9-7(3)5-8(11)10(9)4/h5H,1-4H3
InChIKeyINHYTMQYRCOZNC-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.70
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-propan-2-ylidenepyrrol-2-one?
The IUPAC name of 1,4-dimethyl-5-propan-2-ylidenepyrrol-2-one (CID 134831218) is 1,4-dimethyl-5-propan-2-ylidenepyrrol-2-one.
What is the SMILES notation for 1,4-dimethyl-5-propan-2-ylidenepyrrol-2-one?
The canonical SMILES for 1,4-dimethyl-5-propan-2-ylidenepyrrol-2-one is CC1=CC(=O)N(C)C1=C(C)C.
What is the InChIKey of 1,4-dimethyl-5-propan-2-ylidenepyrrol-2-one?
The InChIKey is INHYTMQYRCOZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6(2)9-7(3)5-8(11)10(9)4/h5H,1-4H3.
What are the key properties of 1,4-dimethyl-5-propan-2-ylidenepyrrol-2-one?
1,4-dimethyl-5-propan-2-ylidenepyrrol-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.70, 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-propan-2-ylidenepyrrol-2-one is sourced from PubChem (CID 134831218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).