4-methyl-N'-(1-prop-2-enylcyclobutyl)benzohydrazide

C15H20N2O — CID 139242072

IUPAC4-methyl-N'-(1-prop-2-enylcyclobutyl)benzohydrazide
SMILESC=CCC1(NNC(=O)c2ccc(C)cc2)CCC1
InChIInChI=1S/C15H20N2O/c1-3-9-15(10-4-11-15)17-16-14(18)13-7-5-12(2)6-8-13/h3,5-8,17H,1,4,9-11H2,2H3,(H,16,18)
InChIKeyQAMSVLUQUUYLLN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.73
Rot. Bonds5

About 4-methyl-N'-(1-prop-2-enylcyclobutyl)benzohydrazide

4-methyl-N'-(1-prop-2-enylcyclobutyl)benzohydrazide (PubChem CID 139242072) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-methyl-N'-(1-prop-2-enylcyclobutyl)benzohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(1-prop-2-enylcyclobutyl)benzohydrazide
PubChem CID139242072
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-methyl-N'-(1-prop-2-enylcyclobutyl)benzohydrazide
SMILESC=CCC1(NNC(=O)c2ccc(C)cc2)CCC1
InChIInChI=1S/C15H20N2O/c1-3-9-15(10-4-11-15)17-16-14(18)13-7-5-12(2)6-8-13/h3,5-8,17H,1,4,9-11H2,2H3,(H,16,18)
InChIKeyQAMSVLUQUUYLLN-UHFFFAOYSA-N
XLogP2.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(1-prop-2-enylcyclobutyl)benzohydrazide?
The IUPAC name of 4-methyl-N'-(1-prop-2-enylcyclobutyl)benzohydrazide (CID 139242072) is 4-methyl-N'-(1-prop-2-enylcyclobutyl)benzohydrazide.
What is the SMILES notation for 4-methyl-N'-(1-prop-2-enylcyclobutyl)benzohydrazide?
The canonical SMILES for 4-methyl-N'-(1-prop-2-enylcyclobutyl)benzohydrazide is C=CCC1(NNC(=O)c2ccc(C)cc2)CCC1.
What is the InChIKey of 4-methyl-N'-(1-prop-2-enylcyclobutyl)benzohydrazide?
The InChIKey is QAMSVLUQUUYLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-9-15(10-4-11-15)17-16-14(18)13-7-5-12(2)6-8-13/h3,5-8,17H,1,4,9-11H2,2H3,(H,16,18).
What are the key properties of 4-methyl-N'-(1-prop-2-enylcyclobutyl)benzohydrazide?
4-methyl-N'-(1-prop-2-enylcyclobutyl)benzohydrazide has a molecular weight of 244.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(1-prop-2-enylcyclobutyl)benzohydrazide is sourced from PubChem (CID 139242072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).