[3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium

C13H13N4O3+ — CID 89247186

IUPAC[3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium
SMILESC[N+](=O)c1cccc(-c2ccc(/C=N/NC(N)=O)o2)c1
InChIInChI=1S/C13H12N4O3/c1-17(19)10-4-2-3-9(7-10)12-6-5-11(20-12)8-15-16-13(14)18/h2-8H,1H3,(H2-,14,16,18)/p+1/b15-8+
InChIKeyKWCWKKLPAZPDER-OVCLIPMQSA-O
MW273.27 g/mol
LogP1.99
Rot. Bonds4

About [3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium

[3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium (PubChem CID 89247186) has the molecular formula C13H13N4O3+ and a molecular weight of 273.27 g/mol. Its IUPAC name is [3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium.

Molecular Properties

Compound Name[3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium
PubChem CID89247186
Molecular FormulaC13H13N4O3+
Molecular Weight273.27 g/mol
Exact Mass273.10
IUPAC Name[3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium
SMILESC[N+](=O)c1cccc(-c2ccc(/C=N/NC(N)=O)o2)c1
InChIInChI=1S/C13H12N4O3/c1-17(19)10-4-2-3-9(7-10)12-6-5-11(20-12)8-15-16-13(14)18/h2-8H,1H3,(H2-,14,16,18)/p+1/b15-8+
InChIKeyKWCWKKLPAZPDER-OVCLIPMQSA-O
XLogP1.99
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[5-[(Z)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6255875
[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea
CID 691890
N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351713
[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
CID 14174868
N-(4-methylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
CID 6871551
N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide
CID 27059659
N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 94837416
N-(3,4-dimethylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
CID 94837456
N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 94837415
3-iodo-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846741
[(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea
CID 30105868
methyl N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]carbamate
CID 6883365

Frequently Asked Questions

What is the IUPAC name of [3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium?
The IUPAC name of [3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium (CID 89247186) is [3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium.
What is the SMILES notation for [3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium?
The canonical SMILES for [3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium is C[N+](=O)c1cccc(-c2ccc(/C=N/NC(N)=O)o2)c1.
What is the InChIKey of [3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium?
The InChIKey is KWCWKKLPAZPDER-OVCLIPMQSA-O. The full InChI is InChI=1S/C13H12N4O3/c1-17(19)10-4-2-3-9(7-10)12-6-5-11(20-12)8-15-16-13(14)18/h2-8H,1H3,(H2-,14,16,18)/p+1/b15-8+.
What are the key properties of [3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium?
[3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium has a molecular weight of 273.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium is sourced from PubChem (CID 89247186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).