pent-3-en-2-ylideneurea

C6H10N2O — CID 174541910

IUPACpent-3-en-2-ylideneurea
SMILESCC=CC(C)=NC(N)=O
InChIInChI=1S/C6H10N2O/c1-3-4-5(2)8-6(7)9/h3-4H,1-2H3,(H2,7,9)
InChIKeyVNQMQHJIIALXPX-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.10
Rot. Bonds1

About pent-3-en-2-ylideneurea

pent-3-en-2-ylideneurea (PubChem CID 174541910) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is pent-3-en-2-ylideneurea.

Molecular Properties

Compound Namepent-3-en-2-ylideneurea
PubChem CID174541910
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Namepent-3-en-2-ylideneurea
SMILESCC=CC(C)=NC(N)=O
InChIInChI=1S/C6H10N2O/c1-3-4-5(2)8-6(7)9/h3-4H,1-2H3,(H2,7,9)
InChIKeyVNQMQHJIIALXPX-UHFFFAOYSA-N
XLogP1.10
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 pent-3-en-2-ylideneurea?
The IUPAC name of pent-3-en-2-ylideneurea (CID 174541910) is pent-3-en-2-ylideneurea.
What is the SMILES notation for pent-3-en-2-ylideneurea?
The canonical SMILES for pent-3-en-2-ylideneurea is CC=CC(C)=NC(N)=O.
What is the InChIKey of pent-3-en-2-ylideneurea?
The InChIKey is VNQMQHJIIALXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-4-5(2)8-6(7)9/h3-4H,1-2H3,(H2,7,9).
What are the key properties of pent-3-en-2-ylideneurea?
pent-3-en-2-ylideneurea has a molecular weight of 126.16 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-en-2-ylideneurea is sourced from PubChem (CID 174541910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).