3,5-dipentyl-1-prop-2-enylpyridin-2-one

C18H29NO — CID 70505912

IUPAC3,5-dipentyl-1-prop-2-enylpyridin-2-one
SMILESC=CCn1cc(CCCCC)cc(CCCCC)c1=O
InChIInChI=1S/C18H29NO/c1-4-7-9-11-16-14-17(12-10-8-5-2)18(20)19(15-16)13-6-3/h6,14-15H,3-5,7-13H2,1-2H3
InChIKeyCTWMTNKSAHCYQO-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.50
Rot. Bonds10

About 3,5-dipentyl-1-prop-2-enylpyridin-2-one

3,5-dipentyl-1-prop-2-enylpyridin-2-one (PubChem CID 70505912) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3,5-dipentyl-1-prop-2-enylpyridin-2-one.

Molecular Properties

Compound Name3,5-dipentyl-1-prop-2-enylpyridin-2-one
PubChem CID70505912
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3,5-dipentyl-1-prop-2-enylpyridin-2-one
SMILESC=CCn1cc(CCCCC)cc(CCCCC)c1=O
InChIInChI=1S/C18H29NO/c1-4-7-9-11-16-14-17(12-10-8-5-2)18(20)19(15-16)13-6-3/h6,14-15H,3-5,7-13H2,1-2H3
InChIKeyCTWMTNKSAHCYQO-UHFFFAOYSA-N
XLogP4.50
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dipentyl-1-prop-2-enylpyridin-2-one?
The IUPAC name of 3,5-dipentyl-1-prop-2-enylpyridin-2-one (CID 70505912) is 3,5-dipentyl-1-prop-2-enylpyridin-2-one.
What is the SMILES notation for 3,5-dipentyl-1-prop-2-enylpyridin-2-one?
The canonical SMILES for 3,5-dipentyl-1-prop-2-enylpyridin-2-one is C=CCn1cc(CCCCC)cc(CCCCC)c1=O.
What is the InChIKey of 3,5-dipentyl-1-prop-2-enylpyridin-2-one?
The InChIKey is CTWMTNKSAHCYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-7-9-11-16-14-17(12-10-8-5-2)18(20)19(15-16)13-6-3/h6,14-15H,3-5,7-13H2,1-2H3.
What are the key properties of 3,5-dipentyl-1-prop-2-enylpyridin-2-one?
3,5-dipentyl-1-prop-2-enylpyridin-2-one has a molecular weight of 275.44 g/mol, XLogP of 4.50, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipentyl-1-prop-2-enylpyridin-2-one is sourced from PubChem (CID 70505912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).