1,5-dimethyl-2-propan-2-yl-2,6-dihydropyridin-3-one;hydrochloride

C10H18ClNO — CID 14547881

IUPAC1,5-dimethyl-2-propan-2-yl-2,6-dihydropyridin-3-one;hydrochloride
SMILESCC1=CC(=O)C(C(C)C)N(C)C1.Cl
InChIInChI=1S/C10H17NO.ClH/c1-7(2)10-9(12)5-8(3)6-11(10)4;/h5,7,10H,6H2,1-4H3;1H
InChIKeyOPNFILWNEGVCMN-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.89
Rot. Bonds1

About 1,5-dimethyl-2-propan-2-yl-2,6-dihydropyridin-3-one;hydrochloride

1,5-dimethyl-2-propan-2-yl-2,6-dihydropyridin-3-one;hydrochloride (PubChem CID 14547881) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 1,5-dimethyl-2-propan-2-yl-2,6-dihydropyridin-3-one;hydrochloride.

Molecular Properties

Compound Name1,5-dimethyl-2-propan-2-yl-2,6-dihydropyridin-3-one;hydrochloride
PubChem CID14547881
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name1,5-dimethyl-2-propan-2-yl-2,6-dihydropyridin-3-one;hydrochloride
SMILESCC1=CC(=O)C(C(C)C)N(C)C1.Cl
InChIInChI=1S/C10H17NO.ClH/c1-7(2)10-9(12)5-8(3)6-11(10)4;/h5,7,10H,6H2,1-4H3;1H
InChIKeyOPNFILWNEGVCMN-UHFFFAOYSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-t-Butyl-2,5-dimethyl-4,5-dehydro-3-piperidone
CID 3438403
1,2,5-Trimethyl-4,5-dehydropiperid-3-one
CID 3591042
5-(Tert-butyl)-1,2-dimethyl-1,6-dihydro-3(2H)-pyridinone
CID 13443196
2-Methyl-1-(2-methylpropyl)-2,6-dihydropyridin-3-one
CID 66730482
1-(5-acetyl-1,2-dimethyl-3,6-dihydro-2H-pyridin-3-yl)ethanone
CID 67492894
1-(1,3-dimethyl-3,6-dihydro-2H-pyridin-2-yl)ethanone
CID 68391986
(6R)-6-ethyl-1-methyl-4-propan-2-yl-2,6-dihydropyridin-3-one
CID 117945274
(6R)-5,6-diethyl-1-methyl-2,6-dihydropyridin-3-one
CID 117945340
(6R)-5-cyclopropyl-6-ethyl-1-methyl-2,6-dihydropyridin-3-one
CID 117945354
(6R)-4-cyclopropyl-6-ethyl-1-methyl-2,6-dihydropyridin-3-one
CID 117945370
4-methyl-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-one
CID 158219570
1,7-di(propan-2-yl)-3,7-dihydro-2H-azepin-6-one
CID 178931337

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-propan-2-yl-2,6-dihydropyridin-3-one;hydrochloride?
The IUPAC name of 1,5-dimethyl-2-propan-2-yl-2,6-dihydropyridin-3-one;hydrochloride (CID 14547881) is 1,5-dimethyl-2-propan-2-yl-2,6-dihydropyridin-3-one;hydrochloride.
What is the SMILES notation for 1,5-dimethyl-2-propan-2-yl-2,6-dihydropyridin-3-one;hydrochloride?
The canonical SMILES for 1,5-dimethyl-2-propan-2-yl-2,6-dihydropyridin-3-one;hydrochloride is CC1=CC(=O)C(C(C)C)N(C)C1.Cl.
What is the InChIKey of 1,5-dimethyl-2-propan-2-yl-2,6-dihydropyridin-3-one;hydrochloride?
The InChIKey is OPNFILWNEGVCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.ClH/c1-7(2)10-9(12)5-8(3)6-11(10)4;/h5,7,10H,6H2,1-4H3;1H.
What are the key properties of 1,5-dimethyl-2-propan-2-yl-2,6-dihydropyridin-3-one;hydrochloride?
1,5-dimethyl-2-propan-2-yl-2,6-dihydropyridin-3-one;hydrochloride has a molecular weight of 203.71 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-propan-2-yl-2,6-dihydropyridin-3-one;hydrochloride is sourced from PubChem (CID 14547881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).