methyl N-[(Z)-5-methylidene-2-oxooct-6-en-3-yl]carbamate

C11H17NO3 — CID 88948563

IUPACmethyl N-[(Z)-5-methylidene-2-oxooct-6-en-3-yl]carbamate
SMILESC=C(/C=C\C)CC(NC(=O)OC)C(C)=O
InChIInChI=1S/C11H17NO3/c1-5-6-8(2)7-10(9(3)13)12-11(14)15-4/h5-6,10H,2,7H2,1,3-4H3,(H,12,14)/b6-5-
InChIKeyVIFQBBLSZDDPAD-WAYWQWQTSA-N
MW211.26 g/mol
LogP1.82
Rot. Bonds5

About methyl N-[(Z)-5-methylidene-2-oxooct-6-en-3-yl]carbamate

methyl N-[(Z)-5-methylidene-2-oxooct-6-en-3-yl]carbamate (PubChem CID 88948563) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl N-[(Z)-5-methylidene-2-oxooct-6-en-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-5-methylidene-2-oxooct-6-en-3-yl]carbamate
PubChem CID88948563
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl N-[(Z)-5-methylidene-2-oxooct-6-en-3-yl]carbamate
SMILESC=C(/C=C\C)CC(NC(=O)OC)C(C)=O
InChIInChI=1S/C11H17NO3/c1-5-6-8(2)7-10(9(3)13)12-11(14)15-4/h5-6,10H,2,7H2,1,3-4H3,(H,12,14)/b6-5-
InChIKeyVIFQBBLSZDDPAD-WAYWQWQTSA-N
XLogP1.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-5-methylidene-2-oxooct-6-en-3-yl]carbamate?
The IUPAC name of methyl N-[(Z)-5-methylidene-2-oxooct-6-en-3-yl]carbamate (CID 88948563) is methyl N-[(Z)-5-methylidene-2-oxooct-6-en-3-yl]carbamate.
What is the SMILES notation for methyl N-[(Z)-5-methylidene-2-oxooct-6-en-3-yl]carbamate?
The canonical SMILES for methyl N-[(Z)-5-methylidene-2-oxooct-6-en-3-yl]carbamate is C=C(/C=C\C)CC(NC(=O)OC)C(C)=O.
What is the InChIKey of methyl N-[(Z)-5-methylidene-2-oxooct-6-en-3-yl]carbamate?
The InChIKey is VIFQBBLSZDDPAD-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H17NO3/c1-5-6-8(2)7-10(9(3)13)12-11(14)15-4/h5-6,10H,2,7H2,1,3-4H3,(H,12,14)/b6-5-.
What are the key properties of methyl N-[(Z)-5-methylidene-2-oxooct-6-en-3-yl]carbamate?
methyl N-[(Z)-5-methylidene-2-oxooct-6-en-3-yl]carbamate has a molecular weight of 211.26 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-5-methylidene-2-oxooct-6-en-3-yl]carbamate is sourced from PubChem (CID 88948563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).