(2-prop-2-ynoxyphenyl) N-methylcarbamate

C11H11NO3 — CID 18662

IUPAC(2-prop-2-ynoxyphenyl) N-methylcarbamate
SMILESC#CCOc1ccccc1OC(=O)NC
InChIInChI=1S/C11H11NO3/c1-3-8-14-9-6-4-5-7-10(9)15-11(13)12-2/h1,4-7H,8H2,2H3,(H,12,13)
InChIKeyLQLIPNNDDMXSGM-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.42
Rot. Bonds3

About (2-prop-2-ynoxyphenyl) N-methylcarbamate

(2-prop-2-ynoxyphenyl) N-methylcarbamate (PubChem CID 18662) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2-prop-2-ynoxyphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2-prop-2-ynoxyphenyl) N-methylcarbamate
PubChem CID18662
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(2-prop-2-ynoxyphenyl) N-methylcarbamate
SMILESC#CCOc1ccccc1OC(=O)NC
InChIInChI=1S/C11H11NO3/c1-3-8-14-9-6-4-5-7-10(9)15-11(13)12-2/h1,4-7H,8H2,2H3,(H,12,13)
InChIKeyLQLIPNNDDMXSGM-UHFFFAOYSA-N
XLogP1.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-prop-2-ynoxyphenyl) N-methylcarbamate?
The IUPAC name of (2-prop-2-ynoxyphenyl) N-methylcarbamate (CID 18662) is (2-prop-2-ynoxyphenyl) N-methylcarbamate.
What is the SMILES notation for (2-prop-2-ynoxyphenyl) N-methylcarbamate?
The canonical SMILES for (2-prop-2-ynoxyphenyl) N-methylcarbamate is C#CCOc1ccccc1OC(=O)NC.
What is the InChIKey of (2-prop-2-ynoxyphenyl) N-methylcarbamate?
The InChIKey is LQLIPNNDDMXSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-3-8-14-9-6-4-5-7-10(9)15-11(13)12-2/h1,4-7H,8H2,2H3,(H,12,13).
What are the key properties of (2-prop-2-ynoxyphenyl) N-methylcarbamate?
(2-prop-2-ynoxyphenyl) N-methylcarbamate has a molecular weight of 205.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-ynoxyphenyl) N-methylcarbamate is sourced from PubChem (CID 18662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).