hex-5-enylurea

C7H14N2O — CID 55291393

IUPAChex-5-enylurea
SMILESC=CCCCCNC(N)=O
InChIInChI=1S/C7H14N2O/c1-2-3-4-5-6-9-7(8)10/h2H,1,3-6H2,(H3,8,9,10)
InChIKeyBEZPATQLDHDKKC-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.01
Rot. Bonds5

About hex-5-enylurea

hex-5-enylurea (PubChem CID 55291393) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is hex-5-enylurea.

Molecular Properties

Compound Namehex-5-enylurea
PubChem CID55291393
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Namehex-5-enylurea
SMILESC=CCCCCNC(N)=O
InChIInChI=1S/C7H14N2O/c1-2-3-4-5-6-9-7(8)10/h2H,1,3-6H2,(H3,8,9,10)
InChIKeyBEZPATQLDHDKKC-UHFFFAOYSA-N
XLogP1.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hex-5-enylurea?
The IUPAC name of hex-5-enylurea (CID 55291393) is hex-5-enylurea.
What is the SMILES notation for hex-5-enylurea?
The canonical SMILES for hex-5-enylurea is C=CCCCCNC(N)=O.
What is the InChIKey of hex-5-enylurea?
The InChIKey is BEZPATQLDHDKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-3-4-5-6-9-7(8)10/h2H,1,3-6H2,(H3,8,9,10).
What are the key properties of hex-5-enylurea?
hex-5-enylurea has a molecular weight of 142.20 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-enylurea is sourced from PubChem (CID 55291393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).