4-(2,2-dimethylpropyl)-2H-pyridin-3-one

C10H15NO — CID 59278527

IUPAC4-(2,2-dimethylpropyl)-2H-pyridin-3-one
SMILESCC(C)(C)CC1=CC=NCC1=O
InChIInChI=1S/C10H15NO/c1-10(2,3)6-8-4-5-11-7-9(8)12/h4-5H,6-7H2,1-3H3
InChIKeyBUNZGDPNAJZKDX-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.00
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-2H-pyridin-3-one

4-(2,2-dimethylpropyl)-2H-pyridin-3-one (PubChem CID 59278527) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2H-pyridin-3-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2H-pyridin-3-one
PubChem CID59278527
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-(2,2-dimethylpropyl)-2H-pyridin-3-one
SMILESCC(C)(C)CC1=CC=NCC1=O
InChIInChI=1S/C10H15NO/c1-10(2,3)6-8-4-5-11-7-9(8)12/h4-5H,6-7H2,1-3H3
InChIKeyBUNZGDPNAJZKDX-UHFFFAOYSA-N
XLogP2.00
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2H-pyridin-3-one?
The IUPAC name of 4-(2,2-dimethylpropyl)-2H-pyridin-3-one (CID 59278527) is 4-(2,2-dimethylpropyl)-2H-pyridin-3-one.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2H-pyridin-3-one?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2H-pyridin-3-one is CC(C)(C)CC1=CC=NCC1=O.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2H-pyridin-3-one?
The InChIKey is BUNZGDPNAJZKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(2,3)6-8-4-5-11-7-9(8)12/h4-5H,6-7H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2H-pyridin-3-one?
4-(2,2-dimethylpropyl)-2H-pyridin-3-one has a molecular weight of 165.24 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2H-pyridin-3-one is sourced from PubChem (CID 59278527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).