3,6,6-trimethyl-1,2-dihydropyridin-5-one;hydrochloride

C8H14ClNO — CID 53444421

IUPAC3,6,6-trimethyl-1,2-dihydropyridin-5-one;hydrochloride
SMILESCC1=CC(=O)C(C)(C)NC1.Cl
InChIInChI=1S/C8H13NO.ClH/c1-6-4-7(10)8(2,3)9-5-6;/h4,9H,5H2,1-3H3;1H
InChIKeyYNEGHAJHPNRRMA-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.31
Rot. Bonds

About 3,6,6-trimethyl-1,2-dihydropyridin-5-one;hydrochloride

3,6,6-trimethyl-1,2-dihydropyridin-5-one;hydrochloride (PubChem CID 53444421) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 3,6,6-trimethyl-1,2-dihydropyridin-5-one;hydrochloride.

Molecular Properties

Compound Name3,6,6-trimethyl-1,2-dihydropyridin-5-one;hydrochloride
PubChem CID53444421
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name3,6,6-trimethyl-1,2-dihydropyridin-5-one;hydrochloride
SMILESCC1=CC(=O)C(C)(C)NC1.Cl
InChIInChI=1S/C8H13NO.ClH/c1-6-4-7(10)8(2,3)9-5-6;/h4,9H,5H2,1-3H3;1H
InChIKeyYNEGHAJHPNRRMA-UHFFFAOYSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-1,2-dihydropyridin-5-one;hydrochloride?
The IUPAC name of 3,6,6-trimethyl-1,2-dihydropyridin-5-one;hydrochloride (CID 53444421) is 3,6,6-trimethyl-1,2-dihydropyridin-5-one;hydrochloride.
What is the SMILES notation for 3,6,6-trimethyl-1,2-dihydropyridin-5-one;hydrochloride?
The canonical SMILES for 3,6,6-trimethyl-1,2-dihydropyridin-5-one;hydrochloride is CC1=CC(=O)C(C)(C)NC1.Cl.
What is the InChIKey of 3,6,6-trimethyl-1,2-dihydropyridin-5-one;hydrochloride?
The InChIKey is YNEGHAJHPNRRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.ClH/c1-6-4-7(10)8(2,3)9-5-6;/h4,9H,5H2,1-3H3;1H.
What are the key properties of 3,6,6-trimethyl-1,2-dihydropyridin-5-one;hydrochloride?
3,6,6-trimethyl-1,2-dihydropyridin-5-one;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-1,2-dihydropyridin-5-one;hydrochloride is sourced from PubChem (CID 53444421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).