(2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate

C12H15NO3 — CID 27008

IUPAC(2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate
SMILESC=CCc1ccc(OC(=O)NC)c(OC)c1
InChIInChI=1S/C12H15NO3/c1-4-5-9-6-7-10(11(8-9)15-3)16-12(14)13-2/h4,6-8H,1,5H2,2-3H3,(H,13,14)
InChIKeyXNYNXUUNDKTASA-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.14
Rot. Bonds4

About (2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate

(2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate (PubChem CID 27008) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate
PubChem CID27008
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate
SMILESC=CCc1ccc(OC(=O)NC)c(OC)c1
InChIInChI=1S/C12H15NO3/c1-4-5-9-6-7-10(11(8-9)15-3)16-12(14)13-2/h4,6-8H,1,5H2,2-3H3,(H,13,14)
InChIKeyXNYNXUUNDKTASA-UHFFFAOYSA-N
XLogP2.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate?
The IUPAC name of (2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate (CID 27008) is (2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate.
What is the SMILES notation for (2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate?
The canonical SMILES for (2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate is C=CCc1ccc(OC(=O)NC)c(OC)c1.
What is the InChIKey of (2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate?
The InChIKey is XNYNXUUNDKTASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-4-5-9-6-7-10(11(8-9)15-3)16-12(14)13-2/h4,6-8H,1,5H2,2-3H3,(H,13,14).
What are the key properties of (2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate?
(2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate has a molecular weight of 221.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate is sourced from PubChem (CID 27008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).