1-propyl-3-propylideneurea

C7H14N2O — CID 123507101

IUPAC1-propyl-3-propylideneurea
SMILESCCC=NC(=O)NCCC
InChIInChI=1S/C7H14N2O/c1-3-5-8-7(10)9-6-4-2/h5H,3-4,6H2,1-2H3,(H,9,10)
InChIKeyGUAUNVYAHPXTMO-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.59
Rot. Bonds3

About 1-propyl-3-propylideneurea

1-propyl-3-propylideneurea (PubChem CID 123507101) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-propyl-3-propylideneurea.

Molecular Properties

Compound Name1-propyl-3-propylideneurea
PubChem CID123507101
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-propyl-3-propylideneurea
SMILESCCC=NC(=O)NCCC
InChIInChI=1S/C7H14N2O/c1-3-5-8-7(10)9-6-4-2/h5H,3-4,6H2,1-2H3,(H,9,10)
InChIKeyGUAUNVYAHPXTMO-UHFFFAOYSA-N
XLogP1.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.59
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 1-propyl-3-propylideneurea?
The IUPAC name of 1-propyl-3-propylideneurea (CID 123507101) is 1-propyl-3-propylideneurea.
What is the SMILES notation for 1-propyl-3-propylideneurea?
The canonical SMILES for 1-propyl-3-propylideneurea is CCC=NC(=O)NCCC.
What is the InChIKey of 1-propyl-3-propylideneurea?
The InChIKey is GUAUNVYAHPXTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-5-8-7(10)9-6-4-2/h5H,3-4,6H2,1-2H3,(H,9,10).
What are the key properties of 1-propyl-3-propylideneurea?
1-propyl-3-propylideneurea has a molecular weight of 142.20 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-propylideneurea is sourced from PubChem (CID 123507101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).