prop-2-enyl N-heptylcarbamate

C11H21NO2 — CID 10888911

IUPACprop-2-enyl N-heptylcarbamate
SMILESC=CCOC(=O)NCCCCCCC
InChIInChI=1S/C11H21NO2/c1-3-5-6-7-8-9-12-11(13)14-10-4-2/h4H,2-3,5-10H2,1H3,(H,12,13)
InChIKeyVMPOKECNLYCJQV-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.87
Rot. Bonds8

About prop-2-enyl N-heptylcarbamate

prop-2-enyl N-heptylcarbamate (PubChem CID 10888911) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is prop-2-enyl N-heptylcarbamate.

Molecular Properties

Compound Nameprop-2-enyl N-heptylcarbamate
PubChem CID10888911
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameprop-2-enyl N-heptylcarbamate
SMILESC=CCOC(=O)NCCCCCCC
InChIInChI=1S/C11H21NO2/c1-3-5-6-7-8-9-12-11(13)14-10-4-2/h4H,2-3,5-10H2,1H3,(H,12,13)
InChIKeyVMPOKECNLYCJQV-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-heptylcarbamate?
The IUPAC name of prop-2-enyl N-heptylcarbamate (CID 10888911) is prop-2-enyl N-heptylcarbamate.
What is the SMILES notation for prop-2-enyl N-heptylcarbamate?
The canonical SMILES for prop-2-enyl N-heptylcarbamate is C=CCOC(=O)NCCCCCCC.
What is the InChIKey of prop-2-enyl N-heptylcarbamate?
The InChIKey is VMPOKECNLYCJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-6-7-8-9-12-11(13)14-10-4-2/h4H,2-3,5-10H2,1H3,(H,12,13).
What are the key properties of prop-2-enyl N-heptylcarbamate?
prop-2-enyl N-heptylcarbamate has a molecular weight of 199.29 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-heptylcarbamate is sourced from PubChem (CID 10888911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).