methyl N-prop-2-enyl-N-prop-1-ynylcarbamate

C8H11NO2 — CID 138966963

IUPACmethyl N-prop-2-enyl-N-prop-1-ynylcarbamate
SMILESC=CCN(C#CC)C(=O)OC
InChIInChI=1S/C8H11NO2/c1-4-6-9(7-5-2)8(10)11-3/h4H,1,6H2,2-3H3
InChIKeyOKVQXWHQIFHKSU-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.22
Rot. Bonds2

About methyl N-prop-2-enyl-N-prop-1-ynylcarbamate

methyl N-prop-2-enyl-N-prop-1-ynylcarbamate (PubChem CID 138966963) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is methyl N-prop-2-enyl-N-prop-1-ynylcarbamate.

Molecular Properties

Compound Namemethyl N-prop-2-enyl-N-prop-1-ynylcarbamate
PubChem CID138966963
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namemethyl N-prop-2-enyl-N-prop-1-ynylcarbamate
SMILESC=CCN(C#CC)C(=O)OC
InChIInChI=1S/C8H11NO2/c1-4-6-9(7-5-2)8(10)11-3/h4H,1,6H2,2-3H3
InChIKeyOKVQXWHQIFHKSU-UHFFFAOYSA-N
XLogP1.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-prop-2-enyl-N-prop-1-ynylcarbamate?
The IUPAC name of methyl N-prop-2-enyl-N-prop-1-ynylcarbamate (CID 138966963) is methyl N-prop-2-enyl-N-prop-1-ynylcarbamate.
What is the SMILES notation for methyl N-prop-2-enyl-N-prop-1-ynylcarbamate?
The canonical SMILES for methyl N-prop-2-enyl-N-prop-1-ynylcarbamate is C=CCN(C#CC)C(=O)OC.
What is the InChIKey of methyl N-prop-2-enyl-N-prop-1-ynylcarbamate?
The InChIKey is OKVQXWHQIFHKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-4-6-9(7-5-2)8(10)11-3/h4H,1,6H2,2-3H3.
What are the key properties of methyl N-prop-2-enyl-N-prop-1-ynylcarbamate?
methyl N-prop-2-enyl-N-prop-1-ynylcarbamate has a molecular weight of 153.18 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-prop-2-enyl-N-prop-1-ynylcarbamate is sourced from PubChem (CID 138966963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).