[(Z)-(3-methoxyphenyl)methylideneamino] N-methylcarbamate

C10H12N2O3 — CID 5383236

IUPAC[(Z)-(3-methoxyphenyl)methylideneamino] N-methylcarbamate
SMILESCNC(=O)O/N=C\c1cccc(OC)c1
InChIInChI=1S/C10H12N2O3/c1-11-10(13)15-12-7-8-4-3-5-9(6-8)14-2/h3-7H,1-2H3,(H,11,13)/b12-7-
InChIKeyRRFQTBGCORLURF-GHXNOFRVSA-N
MW208.22 g/mol
LogP1.39
Rot. Bonds3

About [(Z)-(3-methoxyphenyl)methylideneamino] N-methylcarbamate

[(Z)-(3-methoxyphenyl)methylideneamino] N-methylcarbamate (PubChem CID 5383236) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is [(Z)-(3-methoxyphenyl)methylideneamino] N-methylcarbamate.

Molecular Properties

Compound Name[(Z)-(3-methoxyphenyl)methylideneamino] N-methylcarbamate
PubChem CID5383236
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name[(Z)-(3-methoxyphenyl)methylideneamino] N-methylcarbamate
SMILESCNC(=O)O/N=C\c1cccc(OC)c1
InChIInChI=1S/C10H12N2O3/c1-11-10(13)15-12-7-8-4-3-5-9(6-8)14-2/h3-7H,1-2H3,(H,11,13)/b12-7-
InChIKeyRRFQTBGCORLURF-GHXNOFRVSA-N
XLogP1.39
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-(3-methoxyphenyl)methylideneamino] N-methylcarbamate?
The IUPAC name of [(Z)-(3-methoxyphenyl)methylideneamino] N-methylcarbamate (CID 5383236) is [(Z)-(3-methoxyphenyl)methylideneamino] N-methylcarbamate.
What is the SMILES notation for [(Z)-(3-methoxyphenyl)methylideneamino] N-methylcarbamate?
The canonical SMILES for [(Z)-(3-methoxyphenyl)methylideneamino] N-methylcarbamate is CNC(=O)O/N=C\c1cccc(OC)c1.
What is the InChIKey of [(Z)-(3-methoxyphenyl)methylideneamino] N-methylcarbamate?
The InChIKey is RRFQTBGCORLURF-GHXNOFRVSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-11-10(13)15-12-7-8-4-3-5-9(6-8)14-2/h3-7H,1-2H3,(H,11,13)/b12-7-.
What are the key properties of [(Z)-(3-methoxyphenyl)methylideneamino] N-methylcarbamate?
[(Z)-(3-methoxyphenyl)methylideneamino] N-methylcarbamate has a molecular weight of 208.22 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(3-methoxyphenyl)methylideneamino] N-methylcarbamate is sourced from PubChem (CID 5383236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).