methyl N-(2-ethyl-4-methyl-3-oxohexylidene)carbamate

C11H19NO3 — CID 123712471

IUPACmethyl N-(2-ethyl-4-methyl-3-oxohexylidene)carbamate
SMILESCCC(C)C(=O)C(C=NC(=O)OC)CC
InChIInChI=1S/C11H19NO3/c1-5-8(3)10(13)9(6-2)7-12-11(14)15-4/h7-9H,5-6H2,1-4H3
InChIKeyUFPNCCORADZBDT-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.46
Rot. Bonds5

About methyl N-(2-ethyl-4-methyl-3-oxohexylidene)carbamate

methyl N-(2-ethyl-4-methyl-3-oxohexylidene)carbamate (PubChem CID 123712471) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl N-(2-ethyl-4-methyl-3-oxohexylidene)carbamate.

Molecular Properties

Compound Namemethyl N-(2-ethyl-4-methyl-3-oxohexylidene)carbamate
PubChem CID123712471
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl N-(2-ethyl-4-methyl-3-oxohexylidene)carbamate
SMILESCCC(C)C(=O)C(C=NC(=O)OC)CC
InChIInChI=1S/C11H19NO3/c1-5-8(3)10(13)9(6-2)7-12-11(14)15-4/h7-9H,5-6H2,1-4H3
InChIKeyUFPNCCORADZBDT-UHFFFAOYSA-N
XLogP2.46
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-ethyl-4-methyl-3-oxohexylidene)carbamate?
The IUPAC name of methyl N-(2-ethyl-4-methyl-3-oxohexylidene)carbamate (CID 123712471) is methyl N-(2-ethyl-4-methyl-3-oxohexylidene)carbamate.
What is the SMILES notation for methyl N-(2-ethyl-4-methyl-3-oxohexylidene)carbamate?
The canonical SMILES for methyl N-(2-ethyl-4-methyl-3-oxohexylidene)carbamate is CCC(C)C(=O)C(C=NC(=O)OC)CC.
What is the InChIKey of methyl N-(2-ethyl-4-methyl-3-oxohexylidene)carbamate?
The InChIKey is UFPNCCORADZBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-8(3)10(13)9(6-2)7-12-11(14)15-4/h7-9H,5-6H2,1-4H3.
What are the key properties of methyl N-(2-ethyl-4-methyl-3-oxohexylidene)carbamate?
methyl N-(2-ethyl-4-methyl-3-oxohexylidene)carbamate has a molecular weight of 213.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-ethyl-4-methyl-3-oxohexylidene)carbamate is sourced from PubChem (CID 123712471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).