methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate

C9H9N3O4 — CID 5417428

IUPACmethyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9N3O4/c1-16-9(13)11-10-6-7-2-4-8(5-3-7)12(14)15/h2-6H,1H3,(H,11,13)/b10-6-
InChIKeyBOHLDNPMHREUCY-POHAHGRESA-N
MW223.19 g/mol
LogP1.28
Rot. Bonds3

About methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate

methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate (PubChem CID 5417428) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
PubChem CID5417428
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Namemethyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9N3O4/c1-16-9(13)11-10-6-7-2-4-8(5-3-7)12(14)15/h2-6H,1H3,(H,11,13)/b10-6-
InChIKeyBOHLDNPMHREUCY-POHAHGRESA-N
XLogP1.28
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(4-nitrophenyl)methylideneamino]carbamate
CID 909440
methyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6898768
ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6899031
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
methyl N-[(Z)-[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]carbamate
CID 9143032
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
methyl N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]carbamate
CID 135730415
methyl N-[(4-chloro-3-nitrophenyl)methylideneamino]carbamate
CID 909430
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
methyl N-[(4-cyanophenyl)methylideneamino]carbamate
CID 833047
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
methyl 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 74861828

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate (CID 5417428) is methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate is COC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate?
The InChIKey is BOHLDNPMHREUCY-POHAHGRESA-N. The full InChI is InChI=1S/C9H9N3O4/c1-16-9(13)11-10-6-7-2-4-8(5-3-7)12(14)15/h2-6H,1H3,(H,11,13)/b10-6-.
What are the key properties of methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate?
methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate has a molecular weight of 223.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate is sourced from PubChem (CID 5417428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).