(3R)-1,3-dimethyl-4-propan-2-yl-3,4-dihydropyridin-2-one

C10H17NO — CID 141419125

IUPAC(3R)-1,3-dimethyl-4-propan-2-yl-3,4-dihydropyridin-2-one
SMILESCC(C)C1C=CN(C)C(=O)[C@@H]1C
InChIInChI=1S/C10H17NO/c1-7(2)9-5-6-11(4)10(12)8(9)3/h5-9H,1-4H3/t8-,9?/m1/s1
InChIKeyVELSFZBQKAERJR-VEDVMXKPSA-N
MW167.25 g/mol
LogP1.88
Rot. Bonds1

About (3R)-1,3-dimethyl-4-propan-2-yl-3,4-dihydropyridin-2-one

(3R)-1,3-dimethyl-4-propan-2-yl-3,4-dihydropyridin-2-one (PubChem CID 141419125) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3R)-1,3-dimethyl-4-propan-2-yl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name(3R)-1,3-dimethyl-4-propan-2-yl-3,4-dihydropyridin-2-one
PubChem CID141419125
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3R)-1,3-dimethyl-4-propan-2-yl-3,4-dihydropyridin-2-one
SMILESCC(C)C1C=CN(C)C(=O)[C@@H]1C
InChIInChI=1S/C10H17NO/c1-7(2)9-5-6-11(4)10(12)8(9)3/h5-9H,1-4H3/t8-,9?/m1/s1
InChIKeyVELSFZBQKAERJR-VEDVMXKPSA-N
XLogP1.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dimethyl-4-propan-2-yl-3,4-dihydropyridin-2-one?
The IUPAC name of (3R)-1,3-dimethyl-4-propan-2-yl-3,4-dihydropyridin-2-one (CID 141419125) is (3R)-1,3-dimethyl-4-propan-2-yl-3,4-dihydropyridin-2-one.
What is the SMILES notation for (3R)-1,3-dimethyl-4-propan-2-yl-3,4-dihydropyridin-2-one?
The canonical SMILES for (3R)-1,3-dimethyl-4-propan-2-yl-3,4-dihydropyridin-2-one is CC(C)C1C=CN(C)C(=O)[C@@H]1C.
What is the InChIKey of (3R)-1,3-dimethyl-4-propan-2-yl-3,4-dihydropyridin-2-one?
The InChIKey is VELSFZBQKAERJR-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)9-5-6-11(4)10(12)8(9)3/h5-9H,1-4H3/t8-,9?/m1/s1.
What are the key properties of (3R)-1,3-dimethyl-4-propan-2-yl-3,4-dihydropyridin-2-one?
(3R)-1,3-dimethyl-4-propan-2-yl-3,4-dihydropyridin-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dimethyl-4-propan-2-yl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 141419125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).