2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-prop-2-enylacetamide

C14H19N3O2 — CID 75465721

IUPAC2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1nc2c(cc1=O)CCCCC2
InChIInChI=1S/C14H19N3O2/c1-2-8-15-13(18)10-17-14(19)9-11-6-4-3-5-7-12(11)16-17/h2,9H,1,3-8,10H2,(H,15,18)
InChIKeyCESKEJDYHQUCQM-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.81
Rot. Bonds4

About 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-prop-2-enylacetamide

2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-prop-2-enylacetamide (PubChem CID 75465721) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-prop-2-enylacetamide
PubChem CID75465721
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1nc2c(cc1=O)CCCCC2
InChIInChI=1S/C14H19N3O2/c1-2-8-15-13(18)10-17-14(19)9-11-6-4-3-5-7-12(11)16-17/h2,9H,1,3-8,10H2,(H,15,18)
InChIKeyCESKEJDYHQUCQM-UHFFFAOYSA-N
XLogP0.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.81
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

CID 47004347
CID 47004347
CID 51052899
CID 51052899
CID 51054444
CID 51054444
CID 52903099
CID 52903099
CID 53368580
CID 53368580
CID 75465554
CID 75465554
CID 75465688
CID 75465688
CID 75465714
CID 75465714
CID 75465719
CID 75465719
CID 75465729
CID 75465729
CID 25806349
CID 25806349
CID 49704480
CID 49704480

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-prop-2-enylacetamide (CID 75465721) is 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1nc2c(cc1=O)CCCCC2.
What is the InChIKey of 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-prop-2-enylacetamide?
The InChIKey is CESKEJDYHQUCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-8-15-13(18)10-17-14(19)9-11-6-4-3-5-7-12(11)16-17/h2,9H,1,3-8,10H2,(H,15,18).
What are the key properties of 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-prop-2-enylacetamide?
2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-prop-2-enylacetamide has a molecular weight of 261.32 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 75465721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).