4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)pyridin-2-one

C18H31NO — CID 123330325

IUPAC4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)pyridin-2-one
SMILESCCCC(C)(CC)c1ccn(C(C)(CC)CC)c(=O)c1
InChIInChI=1S/C18H31NO/c1-7-12-17(5,8-2)15-11-13-19(16(20)14-15)18(6,9-3)10-4/h11,13-14H,7-10,12H2,1-6H3
InChIKeyFVKLQZKYQJFWLP-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.85
Rot. Bonds7

About 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)pyridin-2-one

4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)pyridin-2-one (PubChem CID 123330325) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)pyridin-2-one.

Molecular Properties

Compound Name4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)pyridin-2-one
PubChem CID123330325
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)pyridin-2-one
SMILESCCCC(C)(CC)c1ccn(C(C)(CC)CC)c(=O)c1
InChIInChI=1S/C18H31NO/c1-7-12-17(5,8-2)15-11-13-19(16(20)14-15)18(6,9-3)10-4/h11,13-14H,7-10,12H2,1-6H3
InChIKeyFVKLQZKYQJFWLP-UHFFFAOYSA-N
XLogP4.85
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)pyridin-2-one?
The IUPAC name of 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)pyridin-2-one (CID 123330325) is 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)pyridin-2-one.
What is the SMILES notation for 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)pyridin-2-one?
The canonical SMILES for 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)pyridin-2-one is CCCC(C)(CC)c1ccn(C(C)(CC)CC)c(=O)c1.
What is the InChIKey of 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)pyridin-2-one?
The InChIKey is FVKLQZKYQJFWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-12-17(5,8-2)15-11-13-19(16(20)14-15)18(6,9-3)10-4/h11,13-14H,7-10,12H2,1-6H3.
What are the key properties of 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)pyridin-2-one?
4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)pyridin-2-one has a molecular weight of 277.45 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)pyridin-2-one is sourced from PubChem (CID 123330325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).