non-2-ene;urea

C10H22N2O — CID 159895869

IUPACnon-2-ene;urea
SMILESCC=CCCCCCC.NC(N)=O
InChIInChI=1S/C9H18.CH4N2O/c1-3-5-7-9-8-6-4-2;2-1(3)4/h3,5H,4,6-9H2,1-2H3;(H4,2,3,4)
InChIKeyNVIJAQSSBOQJSO-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.56
Rot. Bonds5

About non-2-ene;urea

non-2-ene;urea (PubChem CID 159895869) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is non-2-ene;urea.

Molecular Properties

Compound Namenon-2-ene;urea
PubChem CID159895869
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Namenon-2-ene;urea
SMILESCC=CCCCCCC.NC(N)=O
InChIInChI=1S/C9H18.CH4N2O/c1-3-5-7-9-8-6-4-2;2-1(3)4/h3,5H,4,6-9H2,1-2H3;(H4,2,3,4)
InChIKeyNVIJAQSSBOQJSO-UHFFFAOYSA-N
XLogP2.56
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.56
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 non-2-ene;urea?
The IUPAC name of non-2-ene;urea (CID 159895869) is non-2-ene;urea.
What is the SMILES notation for non-2-ene;urea?
The canonical SMILES for non-2-ene;urea is CC=CCCCCCC.NC(N)=O.
What is the InChIKey of non-2-ene;urea?
The InChIKey is NVIJAQSSBOQJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.CH4N2O/c1-3-5-7-9-8-6-4-2;2-1(3)4/h3,5H,4,6-9H2,1-2H3;(H4,2,3,4).
What are the key properties of non-2-ene;urea?
non-2-ene;urea has a molecular weight of 186.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-2-ene;urea is sourced from PubChem (CID 159895869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).