ethylideneurea;undec-10-enoic acid

C14H26N2O3 — CID 159342465

IUPACethylideneurea;undec-10-enoic acid
SMILESC=CCCCCCCCCC(=O)O.CC=NC(N)=O
InChIInChI=1S/C11H20O2.C3H6N2O/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-2-5-3(4)6/h2H,1,3-10H2,(H,12,13);2H,1H3,(H2,4,6)
InChIKeyLGHMVEYYUAHASX-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.53
Rot. Bonds9

About ethylideneurea;undec-10-enoic acid

ethylideneurea;undec-10-enoic acid (PubChem CID 159342465) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethylideneurea;undec-10-enoic acid.

Molecular Properties

Compound Nameethylideneurea;undec-10-enoic acid
PubChem CID159342465
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethylideneurea;undec-10-enoic acid
SMILESC=CCCCCCCCCC(=O)O.CC=NC(N)=O
InChIInChI=1S/C11H20O2.C3H6N2O/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-2-5-3(4)6/h2H,1,3-10H2,(H,12,13);2H,1H3,(H2,4,6)
InChIKeyLGHMVEYYUAHASX-UHFFFAOYSA-N
XLogP3.53
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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carbon dioxide;dodecanoic acid;undec-1-ene
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Frequently Asked Questions

What is the IUPAC name of ethylideneurea;undec-10-enoic acid?
The IUPAC name of ethylideneurea;undec-10-enoic acid (CID 159342465) is ethylideneurea;undec-10-enoic acid.
What is the SMILES notation for ethylideneurea;undec-10-enoic acid?
The canonical SMILES for ethylideneurea;undec-10-enoic acid is C=CCCCCCCCCC(=O)O.CC=NC(N)=O.
What is the InChIKey of ethylideneurea;undec-10-enoic acid?
The InChIKey is LGHMVEYYUAHASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.C3H6N2O/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-2-5-3(4)6/h2H,1,3-10H2,(H,12,13);2H,1H3,(H2,4,6).
What are the key properties of ethylideneurea;undec-10-enoic acid?
ethylideneurea;undec-10-enoic acid has a molecular weight of 270.37 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylideneurea;undec-10-enoic acid is sourced from PubChem (CID 159342465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).