Hept-2-ene;urea

C₈H₁₈N₂O — CID 160947512

About Hept-2-ene;urea

Hept-2-ene;urea (PubChem CID 160947512) has the molecular formula C₈H₁₈N₂O and a molecular weight of 158.25 g/mol. Its IUPAC name is hept-2-ene;urea.

Molecular Properties

• Compound Name: Hept-2-ene;urea
• PubChem CID: 160947512
• Molecular Formula: C₈H₁₈N₂O
• Molecular Weight: 158.25 g/mol
• Exact Mass: 158.14
• IUPAC Name: hept-2-ene;urea
• SMILES: CC=CCCCC.NC(N)=O
• InChI: InChI=1S/C7H14.CH4N2O/c1-3-5-7-6-4-2;2-1(3)4/h3,5H,4,6-7H2,1-2H3;(H4,2,3,4)
• InChIKey: SVHUMDVGZIBLSE-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 69.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	158.25
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Hept-2-ene;urea?

The IUPAC name of Hept-2-ene;urea (CID 160947512) is hept-2-ene;urea.

What is the SMILES notation for Hept-2-ene;urea?

The canonical SMILES for Hept-2-ene;urea is CC=CCCCC.NC(N)=O.

What is the InChIKey of Hept-2-ene;urea?

The InChIKey is SVHUMDVGZIBLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.CH4N2O/c1-3-5-7-6-4-2;2-1(3)4/h3,5H,4,6-7H2,1-2H3;(H4,2,3,4).

What are the key properties of Hept-2-ene;urea?

Hept-2-ene;urea has a molecular weight of 158.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Hept-2-ene;urea is sourced from PubChem (CID 160947512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160947512 — identifiers, structure, computed properties (public domain)

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