4-(2,3-dihydropyridin-4-yl)cyclohex-3-en-1-one

C11H13NO — CID 123402789

IUPAC4-(2,3-dihydropyridin-4-yl)cyclohex-3-en-1-one
SMILESO=C1CC=C(C2=CC=NCC2)CC1
InChIInChI=1S/C11H13NO/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1,5,7H,2-4,6,8H2
InChIKeyDHXDHJILPFTBNI-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.07
Rot. Bonds1

About 4-(2,3-dihydropyridin-4-yl)cyclohex-3-en-1-one

4-(2,3-dihydropyridin-4-yl)cyclohex-3-en-1-one (PubChem CID 123402789) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-(2,3-dihydropyridin-4-yl)cyclohex-3-en-1-one.

Molecular Properties

Compound Name4-(2,3-dihydropyridin-4-yl)cyclohex-3-en-1-one
PubChem CID123402789
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-(2,3-dihydropyridin-4-yl)cyclohex-3-en-1-one
SMILESO=C1CC=C(C2=CC=NCC2)CC1
InChIInChI=1S/C11H13NO/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1,5,7H,2-4,6,8H2
InChIKeyDHXDHJILPFTBNI-UHFFFAOYSA-N
XLogP2.07
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(cyclohexen-1-yl)-4,5-dihydro-2H-pyridin-3-one
CID 123763156
5-(2,3-Dihydroquinolin-4-yl)hex-5-en-2-one
CID 142308287

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydropyridin-4-yl)cyclohex-3-en-1-one?
The IUPAC name of 4-(2,3-dihydropyridin-4-yl)cyclohex-3-en-1-one (CID 123402789) is 4-(2,3-dihydropyridin-4-yl)cyclohex-3-en-1-one.
What is the SMILES notation for 4-(2,3-dihydropyridin-4-yl)cyclohex-3-en-1-one?
The canonical SMILES for 4-(2,3-dihydropyridin-4-yl)cyclohex-3-en-1-one is O=C1CC=C(C2=CC=NCC2)CC1.
What is the InChIKey of 4-(2,3-dihydropyridin-4-yl)cyclohex-3-en-1-one?
The InChIKey is DHXDHJILPFTBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1,5,7H,2-4,6,8H2.
What are the key properties of 4-(2,3-dihydropyridin-4-yl)cyclohex-3-en-1-one?
4-(2,3-dihydropyridin-4-yl)cyclohex-3-en-1-one has a molecular weight of 175.23 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydropyridin-4-yl)cyclohex-3-en-1-one is sourced from PubChem (CID 123402789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).