methyl N-[(1Z)-penta-1,4-dienyl]carbamate

C7H11NO2 — CID 10582874

IUPACmethyl N-[(1Z)-penta-1,4-dienyl]carbamate
SMILESC=CC/C=C\NC(=O)OC
InChIInChI=1S/C7H11NO2/c1-3-4-5-6-8-7(9)10-2/h3,5-6H,1,4H2,2H3,(H,8,9)/b6-5-
InChIKeyFJVLLMGGTAFFOP-WAYWQWQTSA-N
MW141.17 g/mol
LogP1.43
Rot. Bonds3

About methyl N-[(1Z)-penta-1,4-dienyl]carbamate

methyl N-[(1Z)-penta-1,4-dienyl]carbamate (PubChem CID 10582874) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl N-[(1Z)-penta-1,4-dienyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1Z)-penta-1,4-dienyl]carbamate
PubChem CID10582874
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl N-[(1Z)-penta-1,4-dienyl]carbamate
SMILESC=CC/C=C\NC(=O)OC
InChIInChI=1S/C7H11NO2/c1-3-4-5-6-8-7(9)10-2/h3,5-6H,1,4H2,2H3,(H,8,9)/b6-5-
InChIKeyFJVLLMGGTAFFOP-WAYWQWQTSA-N
XLogP1.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(1Z)-penta-1,4-dienyl]carbamate?
The IUPAC name of methyl N-[(1Z)-penta-1,4-dienyl]carbamate (CID 10582874) is methyl N-[(1Z)-penta-1,4-dienyl]carbamate.
What is the SMILES notation for methyl N-[(1Z)-penta-1,4-dienyl]carbamate?
The canonical SMILES for methyl N-[(1Z)-penta-1,4-dienyl]carbamate is C=CC/C=C\NC(=O)OC.
What is the InChIKey of methyl N-[(1Z)-penta-1,4-dienyl]carbamate?
The InChIKey is FJVLLMGGTAFFOP-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-4-5-6-8-7(9)10-2/h3,5-6H,1,4H2,2H3,(H,8,9)/b6-5-.
What are the key properties of methyl N-[(1Z)-penta-1,4-dienyl]carbamate?
methyl N-[(1Z)-penta-1,4-dienyl]carbamate has a molecular weight of 141.17 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1Z)-penta-1,4-dienyl]carbamate is sourced from PubChem (CID 10582874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).