3-hydroxy-5-pentan-3-yl-2-(2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one

C16H25NO2 — CID 135759161

IUPAC3-hydroxy-5-pentan-3-yl-2-(2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one
SMILESCCC(CC)C1CC(=O)C(C2=NCCCC2)=C(O)C1
InChIInChI=1S/C16H25NO2/c1-3-11(4-2)12-9-14(18)16(15(19)10-12)13-7-5-6-8-17-13/h11-12,18H,3-10H2,1-2H3
InChIKeyIFWJUKSKGMVPIA-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.84
Rot. Bonds4

About 3-hydroxy-5-pentan-3-yl-2-(2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one

3-hydroxy-5-pentan-3-yl-2-(2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one (PubChem CID 135759161) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-hydroxy-5-pentan-3-yl-2-(2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-5-pentan-3-yl-2-(2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one
PubChem CID135759161
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-hydroxy-5-pentan-3-yl-2-(2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one
SMILESCCC(CC)C1CC(=O)C(C2=NCCCC2)=C(O)C1
InChIInChI=1S/C16H25NO2/c1-3-11(4-2)12-9-14(18)16(15(19)10-12)13-7-5-6-8-17-13/h11-12,18H,3-10H2,1-2H3
InChIKeyIFWJUKSKGMVPIA-UHFFFAOYSA-N
XLogP3.84
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cambridge id 5575214
CID 135439136
5,5-Dimethyl-2-[1-(methylamino)butylidene]cyclohexane-1,3-dione
CID 135421522
5,5-Dimethyl-2-[1-(propan-2-ylamino)ethylidene]cyclohexane-1,3-dione
CID 135472562
2-(1-(Hexylamino)ethylidene)-5,5-dimethylcyclohexane-1,3-dione
CID 137334075
5,5-Dimethyl-2-(piperidin-2-ylidene)cyclohexane-1,3-dione
CID 135446466
2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 135416729
2-{1-[(6-{[1-(2,6-Dioxocyclohexylidene)butyl]amino}hexyl)amino]butylidene}-1,3-cyclohexanedione
CID 135422521
2-[1-(Heptylamino)ethylidene]-5,5-dimethyl-1,3-cyclohexanedione
CID 135423487
2-[1-(Sec-butylamino)ethylidene]-5,5-dimethyl-1,3-cyclohexanedione
CID 135439293
2-[1-(Isopropylamino)butylidene]-5,5-dimethyl-1,3-cyclohexanedione
CID 135452145
2-[(Butylamino)butylidene]-5,5-dimethylcyclohexane-1,3-dione
CID 135494136
5,5-Dimethyl-2-pyrrolidin-2-ylidenecyclohexane-1,3-dione
CID 135403754

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-pentan-3-yl-2-(2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-5-pentan-3-yl-2-(2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one (CID 135759161) is 3-hydroxy-5-pentan-3-yl-2-(2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-hydroxy-5-pentan-3-yl-2-(2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-5-pentan-3-yl-2-(2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one is CCC(CC)C1CC(=O)C(C2=NCCCC2)=C(O)C1.
What is the InChIKey of 3-hydroxy-5-pentan-3-yl-2-(2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one?
The InChIKey is IFWJUKSKGMVPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-11(4-2)12-9-14(18)16(15(19)10-12)13-7-5-6-8-17-13/h11-12,18H,3-10H2,1-2H3.
What are the key properties of 3-hydroxy-5-pentan-3-yl-2-(2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one?
3-hydroxy-5-pentan-3-yl-2-(2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-pentan-3-yl-2-(2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 135759161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).