(3-methoxyphenyl) N-(methylideneamino)carbamate

C9H10N2O3 — CID 69191110

IUPAC(3-methoxyphenyl) N-(methylideneamino)carbamate
SMILESC=NNC(=O)Oc1cccc(OC)c1
InChIInChI=1S/C9H10N2O3/c1-10-11-9(12)14-8-5-3-4-7(6-8)13-2/h3-6H,1H2,2H3,(H,11,12)
InChIKeyHBJOMTAPDGKFDA-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.40
Rot. Bonds3

About (3-methoxyphenyl) N-(methylideneamino)carbamate

(3-methoxyphenyl) N-(methylideneamino)carbamate (PubChem CID 69191110) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is (3-methoxyphenyl) N-(methylideneamino)carbamate.

Molecular Properties

Compound Name(3-methoxyphenyl) N-(methylideneamino)carbamate
PubChem CID69191110
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name(3-methoxyphenyl) N-(methylideneamino)carbamate
SMILESC=NNC(=O)Oc1cccc(OC)c1
InChIInChI=1S/C9H10N2O3/c1-10-11-9(12)14-8-5-3-4-7(6-8)13-2/h3-6H,1H2,2H3,(H,11,12)
InChIKeyHBJOMTAPDGKFDA-UHFFFAOYSA-N
XLogP1.40
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.40
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'}

Analyze (3-methoxyphenyl) N-(methylideneamino)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(3-methoxyphenyl) methyl carbonate
CID 91439212
[3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate
CID 59364471
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
(3-methoxyphenyl) N-pyridin-2-ylcarbamate
CID 102435207
(3-methoxyphenyl) but-3-enoate
CID 70109431
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
(3-methoxyphenyl) 3-aminopropanoate
CID 94254189
(Z)-4-(3-methoxyphenoxy)-4-oxobut-2-enoic acid
CID 21203952
[3-[(2-methoxyphenyl)carbamoyloxy]phenyl] N-(2-methoxyphenyl)carbamate
CID 4848536
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl) N-(methylideneamino)carbamate?
The IUPAC name of (3-methoxyphenyl) N-(methylideneamino)carbamate (CID 69191110) is (3-methoxyphenyl) N-(methylideneamino)carbamate.
What is the SMILES notation for (3-methoxyphenyl) N-(methylideneamino)carbamate?
The canonical SMILES for (3-methoxyphenyl) N-(methylideneamino)carbamate is C=NNC(=O)Oc1cccc(OC)c1.
What is the InChIKey of (3-methoxyphenyl) N-(methylideneamino)carbamate?
The InChIKey is HBJOMTAPDGKFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-10-11-9(12)14-8-5-3-4-7(6-8)13-2/h3-6H,1H2,2H3,(H,11,12).
What are the key properties of (3-methoxyphenyl) N-(methylideneamino)carbamate?
(3-methoxyphenyl) N-(methylideneamino)carbamate has a molecular weight of 194.19 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl) N-(methylideneamino)carbamate is sourced from PubChem (CID 69191110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).