6-chloro-2-[1-(1-hydroxycyclohexyl)prop-2-enyl]pyridazin-3-one

C13H17ClN2O2 — CID 134968312

IUPAC6-chloro-2-[1-(1-hydroxycyclohexyl)prop-2-enyl]pyridazin-3-one
SMILESC=CC(n1nc(Cl)ccc1=O)C1(O)CCCCC1
InChIInChI=1S/C13H17ClN2O2/c1-2-10(13(18)8-4-3-5-9-13)16-12(17)7-6-11(14)15-16/h2,6-7,10,18H,1,3-5,8-9H2
InChIKeySDCUDKNVBZPZHP-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.32
Rot. Bonds3

About 6-chloro-2-[1-(1-hydroxycyclohexyl)prop-2-enyl]pyridazin-3-one

6-chloro-2-[1-(1-hydroxycyclohexyl)prop-2-enyl]pyridazin-3-one (PubChem CID 134968312) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 6-chloro-2-[1-(1-hydroxycyclohexyl)prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-[1-(1-hydroxycyclohexyl)prop-2-enyl]pyridazin-3-one
PubChem CID134968312
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name6-chloro-2-[1-(1-hydroxycyclohexyl)prop-2-enyl]pyridazin-3-one
SMILESC=CC(n1nc(Cl)ccc1=O)C1(O)CCCCC1
InChIInChI=1S/C13H17ClN2O2/c1-2-10(13(18)8-4-3-5-9-13)16-12(17)7-6-11(14)15-16/h2,6-7,10,18H,1,3-5,8-9H2
InChIKeySDCUDKNVBZPZHP-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-Hydroxycyclohexyl)methyl]pyridazin-3-one
CID 154458113
2-[(1-Hydroxycyclohexyl)methyl]-6-methylpyridazin-3-one
CID 110929773

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-(1-hydroxycyclohexyl)prop-2-enyl]pyridazin-3-one?
The IUPAC name of 6-chloro-2-[1-(1-hydroxycyclohexyl)prop-2-enyl]pyridazin-3-one (CID 134968312) is 6-chloro-2-[1-(1-hydroxycyclohexyl)prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-[1-(1-hydroxycyclohexyl)prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 6-chloro-2-[1-(1-hydroxycyclohexyl)prop-2-enyl]pyridazin-3-one is C=CC(n1nc(Cl)ccc1=O)C1(O)CCCCC1.
What is the InChIKey of 6-chloro-2-[1-(1-hydroxycyclohexyl)prop-2-enyl]pyridazin-3-one?
The InChIKey is SDCUDKNVBZPZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-2-10(13(18)8-4-3-5-9-13)16-12(17)7-6-11(14)15-16/h2,6-7,10,18H,1,3-5,8-9H2.
What are the key properties of 6-chloro-2-[1-(1-hydroxycyclohexyl)prop-2-enyl]pyridazin-3-one?
6-chloro-2-[1-(1-hydroxycyclohexyl)prop-2-enyl]pyridazin-3-one has a molecular weight of 268.74 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-(1-hydroxycyclohexyl)prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 134968312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).