ethenoxyethene;phenylcarbamic acid

C11H13NO3 — CID 159140981

IUPACethenoxyethene;phenylcarbamic acid
SMILESC=COC=C.O=C(O)Nc1ccccc1
InChIInChI=1S/C7H7NO2.C4H6O/c9-7(10)8-6-4-2-1-3-5-6;1-3-5-4-2/h1-5,8H,(H,9,10);3-4H,1-2H2
InChIKeyKIBYXUNLWCNHAD-UHFFFAOYSA-N
MW207.23 g/mol
LogP3.07
Rot. Bonds3

About ethenoxyethene;phenylcarbamic acid

ethenoxyethene;phenylcarbamic acid (PubChem CID 159140981) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethenoxyethene;phenylcarbamic acid.

Molecular Properties

Compound Nameethenoxyethene;phenylcarbamic acid
PubChem CID159140981
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameethenoxyethene;phenylcarbamic acid
SMILESC=COC=C.O=C(O)Nc1ccccc1
InChIInChI=1S/C7H7NO2.C4H6O/c9-7(10)8-6-4-2-1-3-5-6;1-3-5-4-2/h1-5,8H,(H,9,10);3-4H,1-2H2
InChIKeyKIBYXUNLWCNHAD-UHFFFAOYSA-N
XLogP3.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethenoxyethene;phenylcarbamic acid 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

carbamic acid;methane;phenylcarbamic acid
CID 70508846
aniline;phenylcarbamic acid
CID 173402321
(4-ethenylphenyl)carbamic acid
CID 22352089
2-ethenyl-N-phenylbenzamide
CID 12541487
(4-benzamidophenyl)carbamic acid
CID 18543096
ethane-1,2-diol;ethenoxyethene;1,2-xylene
CID 118954321
2-methyl-N-phenylprop-2-enamide;styrene
CID 70398128
2-anilino-N-phenylprop-2-enamide
CID 20522355
N-phenylaniline;prop-2-enoic acid
CID 160759599
hexane-1,2,3,4,5,6-hexol;phenylcarbamic acid
CID 54607151
3-formyl-N-phenylbut-3-enamide
CID 12974966
(E)-3-anilinobut-2-enoic acid
CID 89350388

Frequently Asked Questions

What is the IUPAC name of ethenoxyethene;phenylcarbamic acid?
The IUPAC name of ethenoxyethene;phenylcarbamic acid (CID 159140981) is ethenoxyethene;phenylcarbamic acid.
What is the SMILES notation for ethenoxyethene;phenylcarbamic acid?
The canonical SMILES for ethenoxyethene;phenylcarbamic acid is C=COC=C.O=C(O)Nc1ccccc1.
What is the InChIKey of ethenoxyethene;phenylcarbamic acid?
The InChIKey is KIBYXUNLWCNHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C4H6O/c9-7(10)8-6-4-2-1-3-5-6;1-3-5-4-2/h1-5,8H,(H,9,10);3-4H,1-2H2.
What are the key properties of ethenoxyethene;phenylcarbamic acid?
ethenoxyethene;phenylcarbamic acid has a molecular weight of 207.23 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethene;phenylcarbamic acid is sourced from PubChem (CID 159140981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).