5-methylhex-5-enylurea

C8H16N2O — CID 145315541

IUPAC5-methylhex-5-enylurea
SMILESC=C(C)CCCCNC(N)=O
InChIInChI=1S/C8H16N2O/c1-7(2)5-3-4-6-10-8(9)11/h1,3-6H2,2H3,(H3,9,10,11)
InChIKeyLREWANXNOMKSQD-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.40
Rot. Bonds5

About 5-methylhex-5-enylurea

5-methylhex-5-enylurea (PubChem CID 145315541) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 5-methylhex-5-enylurea.

Molecular Properties

Compound Name5-methylhex-5-enylurea
PubChem CID145315541
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name5-methylhex-5-enylurea
SMILESC=C(C)CCCCNC(N)=O
InChIInChI=1S/C8H16N2O/c1-7(2)5-3-4-6-10-8(9)11/h1,3-6H2,2H3,(H3,9,10,11)
InChIKeyLREWANXNOMKSQD-UHFFFAOYSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.40
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 5-methylhex-5-enylurea?
The IUPAC name of 5-methylhex-5-enylurea (CID 145315541) is 5-methylhex-5-enylurea.
What is the SMILES notation for 5-methylhex-5-enylurea?
The canonical SMILES for 5-methylhex-5-enylurea is C=C(C)CCCCNC(N)=O.
What is the InChIKey of 5-methylhex-5-enylurea?
The InChIKey is LREWANXNOMKSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(2)5-3-4-6-10-8(9)11/h1,3-6H2,2H3,(H3,9,10,11).
What are the key properties of 5-methylhex-5-enylurea?
5-methylhex-5-enylurea has a molecular weight of 156.23 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhex-5-enylurea is sourced from PubChem (CID 145315541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).