[4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium

C11H17N4O+ — CID 6864967

IUPAC[4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium
SMILESC[N+](C)(C)c1ccc(/C=N/NC(N)=O)cc1
InChIInChI=1S/C11H16N4O/c1-15(2,3)10-6-4-9(5-7-10)8-13-14-11(12)16/h4-8H,1-3H3,(H2-,12,14,16)/p+1/b13-8+
InChIKeyGKWNFRRXBOJKAZ-MDWZMJQESA-O
MW221.28 g/mol
LogP0.89
Rot. Bonds3

About [4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium

[4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium (PubChem CID 6864967) has the molecular formula C11H17N4O+ and a molecular weight of 221.28 g/mol. Its IUPAC name is [4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium.

Molecular Properties

Compound Name[4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium
PubChem CID6864967
Molecular FormulaC11H17N4O+
Molecular Weight221.28 g/mol
Exact Mass221.14
IUPAC Name[4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium
SMILESC[N+](C)(C)c1ccc(/C=N/NC(N)=O)cc1
InChIInChI=1S/C11H16N4O/c1-15(2,3)10-6-4-9(5-7-10)8-13-14-11(12)16/h4-8H,1-3H3,(H2-,12,14,16)/p+1/b13-8+
InChIKeyGKWNFRRXBOJKAZ-MDWZMJQESA-O
XLogP0.89
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide
CID 54610188
[(E)-benzylideneamino]urea
CID 6861419
4-[(carbamoylhydrazinylidene)methyl]benzoic acid
CID 2588651
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
[(E)-[4-(4-phenoxyphenoxy)phenyl]methylideneamino]urea
CID 10593753
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methylideneamino]urea
CID 168533510
[[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea
CID 168533746
[[4-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea
CID 168532139
[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea
CID 63318884

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium?
The IUPAC name of [4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium (CID 6864967) is [4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium.
What is the SMILES notation for [4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium?
The canonical SMILES for [4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium is C[N+](C)(C)c1ccc(/C=N/NC(N)=O)cc1.
What is the InChIKey of [4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium?
The InChIKey is GKWNFRRXBOJKAZ-MDWZMJQESA-O. The full InChI is InChI=1S/C11H16N4O/c1-15(2,3)10-6-4-9(5-7-10)8-13-14-11(12)16/h4-8H,1-3H3,(H2-,12,14,16)/p+1/b13-8+.
What are the key properties of [4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium?
[4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium has a molecular weight of 221.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium is sourced from PubChem (CID 6864967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).