methyl N-[(4-cyanophenyl)methylideneamino]carbamate

C10H9N3O2 — CID 833047

IUPACmethyl N-[(4-cyanophenyl)methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1ccc(C#N)cc1
InChIInChI=1S/C10H9N3O2/c1-15-10(14)13-12-7-9-4-2-8(6-11)3-5-9/h2-5,7H,1H3,(H,13,14)
InChIKeyDQGCPFVVXLGNJL-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.25
Rot. Bonds2

About methyl N-[(4-cyanophenyl)methylideneamino]carbamate

methyl N-[(4-cyanophenyl)methylideneamino]carbamate (PubChem CID 833047) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is methyl N-[(4-cyanophenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(4-cyanophenyl)methylideneamino]carbamate
PubChem CID833047
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Namemethyl N-[(4-cyanophenyl)methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1ccc(C#N)cc1
InChIInChI=1S/C10H9N3O2/c1-15-10(14)13-12-7-9-4-2-8(6-11)3-5-9/h2-5,7H,1H3,(H,13,14)
InChIKeyDQGCPFVVXLGNJL-UHFFFAOYSA-N
XLogP1.25
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
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'}

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Related Compounds

methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
CID 5417428
[[4-(4-cyanophenyl)phenyl]methylideneamino]urea
CID 168532335
methyl N-[(4-nitrophenyl)methylideneamino]carbamate
CID 909440
methyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6898768
methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate
CID 18532072
methyl 4-[(E)-[(4-cyanophenyl)hydrazinylidene]methyl]benzoate
CID 46915929
methyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate
CID 7601967
methyl N-[[4-(cyclopropylmethoxy)phenyl]methylideneamino]carbamate
CID 54389739
N-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 2833020
4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
CID 5417686
N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
CID 6044882

Frequently Asked Questions

What is the IUPAC name of methyl N-[(4-cyanophenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(4-cyanophenyl)methylideneamino]carbamate (CID 833047) is methyl N-[(4-cyanophenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(4-cyanophenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(4-cyanophenyl)methylideneamino]carbamate is COC(=O)NN=Cc1ccc(C#N)cc1.
What is the InChIKey of methyl N-[(4-cyanophenyl)methylideneamino]carbamate?
The InChIKey is DQGCPFVVXLGNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-15-10(14)13-12-7-9-4-2-8(6-11)3-5-9/h2-5,7H,1H3,(H,13,14).
What are the key properties of methyl N-[(4-cyanophenyl)methylideneamino]carbamate?
methyl N-[(4-cyanophenyl)methylideneamino]carbamate has a molecular weight of 203.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4-cyanophenyl)methylideneamino]carbamate is sourced from PubChem (CID 833047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).