1-(3-methylbut-3-enyl)pyridin-2-one

C10H13NO — CID 114476733

IUPAC1-(3-methylbut-3-enyl)pyridin-2-one
SMILESC=C(C)CCn1ccccc1=O
InChIInChI=1S/C10H13NO/c1-9(2)6-8-11-7-4-3-5-10(11)12/h3-5,7H,1,6,8H2,2H3
InChIKeySNBJKYZYMQQIIA-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.81
Rot. Bonds3

About 1-(3-methylbut-3-enyl)pyridin-2-one

1-(3-methylbut-3-enyl)pyridin-2-one (PubChem CID 114476733) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(3-methylbut-3-enyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-methylbut-3-enyl)pyridin-2-one
PubChem CID114476733
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(3-methylbut-3-enyl)pyridin-2-one
SMILESC=C(C)CCn1ccccc1=O
InChIInChI=1S/C10H13NO/c1-9(2)6-8-11-7-4-3-5-10(11)12/h3-5,7H,1,6,8H2,2H3
InChIKeySNBJKYZYMQQIIA-UHFFFAOYSA-N
XLogP1.81
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-3-enyl)pyridin-2-one?
The IUPAC name of 1-(3-methylbut-3-enyl)pyridin-2-one (CID 114476733) is 1-(3-methylbut-3-enyl)pyridin-2-one.
What is the SMILES notation for 1-(3-methylbut-3-enyl)pyridin-2-one?
The canonical SMILES for 1-(3-methylbut-3-enyl)pyridin-2-one is C=C(C)CCn1ccccc1=O.
What is the InChIKey of 1-(3-methylbut-3-enyl)pyridin-2-one?
The InChIKey is SNBJKYZYMQQIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-9(2)6-8-11-7-4-3-5-10(11)12/h3-5,7H,1,6,8H2,2H3.
What are the key properties of 1-(3-methylbut-3-enyl)pyridin-2-one?
1-(3-methylbut-3-enyl)pyridin-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-3-enyl)pyridin-2-one is sourced from PubChem (CID 114476733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).