3-(5-ethyl-2,4-dimethyl-3H-pyridin-4-yl)cyclohex-2-en-1-one

C15H21NO — CID 70622641

IUPAC3-(5-ethyl-2,4-dimethyl-3H-pyridin-4-yl)cyclohex-2-en-1-one
SMILESCCC1=CN=C(C)CC1(C)C1=CC(=O)CCC1
InChIInChI=1S/C15H21NO/c1-4-12-10-16-11(2)9-15(12,3)13-6-5-7-14(17)8-13/h8,10H,4-7,9H2,1-3H3
InChIKeyBGEZESMGBSNITB-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.83
Rot. Bonds2

About 3-(5-ethyl-2,4-dimethyl-3H-pyridin-4-yl)cyclohex-2-en-1-one

3-(5-ethyl-2,4-dimethyl-3H-pyridin-4-yl)cyclohex-2-en-1-one (PubChem CID 70622641) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(5-ethyl-2,4-dimethyl-3H-pyridin-4-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(5-ethyl-2,4-dimethyl-3H-pyridin-4-yl)cyclohex-2-en-1-one
PubChem CID70622641
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(5-ethyl-2,4-dimethyl-3H-pyridin-4-yl)cyclohex-2-en-1-one
SMILESCCC1=CN=C(C)CC1(C)C1=CC(=O)CCC1
InChIInChI=1S/C15H21NO/c1-4-12-10-16-11(2)9-15(12,3)13-6-5-7-14(17)8-13/h8,10H,4-7,9H2,1-3H3
InChIKeyBGEZESMGBSNITB-UHFFFAOYSA-N
XLogP3.83
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2,4-dimethyl-3H-pyridin-4-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-(5-ethyl-2,4-dimethyl-3H-pyridin-4-yl)cyclohex-2-en-1-one (CID 70622641) is 3-(5-ethyl-2,4-dimethyl-3H-pyridin-4-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(5-ethyl-2,4-dimethyl-3H-pyridin-4-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(5-ethyl-2,4-dimethyl-3H-pyridin-4-yl)cyclohex-2-en-1-one is CCC1=CN=C(C)CC1(C)C1=CC(=O)CCC1.
What is the InChIKey of 3-(5-ethyl-2,4-dimethyl-3H-pyridin-4-yl)cyclohex-2-en-1-one?
The InChIKey is BGEZESMGBSNITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-12-10-16-11(2)9-15(12,3)13-6-5-7-14(17)8-13/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 3-(5-ethyl-2,4-dimethyl-3H-pyridin-4-yl)cyclohex-2-en-1-one?
3-(5-ethyl-2,4-dimethyl-3H-pyridin-4-yl)cyclohex-2-en-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2,4-dimethyl-3H-pyridin-4-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 70622641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).