oxan-4-ylmethyl N-ethylidenecarbamate

C9H15NO3 — CID 142239329

IUPACoxan-4-ylmethyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCC1CCOCC1
InChIInChI=1S/C9H15NO3/c1-2-10-9(11)13-7-8-3-5-12-6-4-8/h2,8H,3-7H2,1H3
InChIKeyPDDSIRRWIMYWBR-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.64
Rot. Bonds2

About oxan-4-ylmethyl N-ethylidenecarbamate

oxan-4-ylmethyl N-ethylidenecarbamate (PubChem CID 142239329) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is oxan-4-ylmethyl N-ethylidenecarbamate.

Molecular Properties

Compound Nameoxan-4-ylmethyl N-ethylidenecarbamate
PubChem CID142239329
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameoxan-4-ylmethyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCC1CCOCC1
InChIInChI=1S/C9H15NO3/c1-2-10-9(11)13-7-8-3-5-12-6-4-8/h2,8H,3-7H2,1H3
InChIKeyPDDSIRRWIMYWBR-UHFFFAOYSA-N
XLogP1.64
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (4Z)-N-ethoxycarbonyloxane-4-carboximidate
CID 90426755
ethyl N-ethoxycarbonyltetrahydro-2H-pyran-4-carbimidate
CID 90426757

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl N-ethylidenecarbamate?
The IUPAC name of oxan-4-ylmethyl N-ethylidenecarbamate (CID 142239329) is oxan-4-ylmethyl N-ethylidenecarbamate.
What is the SMILES notation for oxan-4-ylmethyl N-ethylidenecarbamate?
The canonical SMILES for oxan-4-ylmethyl N-ethylidenecarbamate is CC=NC(=O)OCC1CCOCC1.
What is the InChIKey of oxan-4-ylmethyl N-ethylidenecarbamate?
The InChIKey is PDDSIRRWIMYWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-10-9(11)13-7-8-3-5-12-6-4-8/h2,8H,3-7H2,1H3.
What are the key properties of oxan-4-ylmethyl N-ethylidenecarbamate?
oxan-4-ylmethyl N-ethylidenecarbamate has a molecular weight of 185.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl N-ethylidenecarbamate is sourced from PubChem (CID 142239329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).