N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide

C13H14N2O2 — CID 135521404

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide
SMILESC=C1CC(C(=O)N/N=C/c2ccc(O)cc2)C1
InChIInChI=1S/C13H14N2O2/c1-9-6-11(7-9)13(17)15-14-8-10-2-4-12(16)5-3-10/h2-5,8,11,16H,1,6-7H2,(H,15,17)/b14-8+
InChIKeyXEZSZPDHUUNTSA-RIYZIHGNSA-N
MW230.27 g/mol
LogP1.81
Rot. Bonds3

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide (PubChem CID 135521404) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide
PubChem CID135521404
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide
SMILESC=C1CC(C(=O)N/N=C/c2ccc(O)cc2)C1
InChIInChI=1S/C13H14N2O2/c1-9-6-11(7-9)13(17)15-14-8-10-2-4-12(16)5-3-10/h2-5,8,11,16H,1,6-7H2,(H,15,17)/b14-8+
InChIKeyXEZSZPDHUUNTSA-RIYZIHGNSA-N
XLogP1.81
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
N'-(3-hydroxybenzylidene)-3-phenylpropanohydrazide
CID 5337816
Mls002667267
CID 241689
4-Hydroxybenzaldehyde semicarbazone
CID 135400267
(E)-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135459360
N'-(3,4-dihydroxybenzylidene)cyclopropanecarbohydrazide
CID 135543352
N'-(2,4-dihydroxybenzylidene)cyclopropanecarbohydrazide
CID 135643065
N'-[(E)-(2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647875
Adipic bis(2-hydroxybenzylidenehydrazide)
CID 135420165
Benzylidenehydrazine derivative, 8
CID 42618294
N'~1~,N'~3~-bis[(E)-(4-hydroxyphenyl)methylidene]propanedihydrazide
CID 135648265
N,N'-bis[(4-hydroxyphenyl)methylideneamino]oxamide
CID 243880

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide (CID 135521404) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide is C=C1CC(C(=O)N/N=C/c2ccc(O)cc2)C1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide?
The InChIKey is XEZSZPDHUUNTSA-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-6-11(7-9)13(17)15-14-8-10-2-4-12(16)5-3-10/h2-5,8,11,16H,1,6-7H2,(H,15,17)/b14-8+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide is sourced from PubChem (CID 135521404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).