[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]urea

C11H20N2O — CID 138496323

IUPAC[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]urea
SMILESCC(C)/C=C\C(=C/C(C)C)NC(N)=O
InChIInChI=1S/C11H20N2O/c1-8(2)5-6-10(7-9(3)4)13-11(12)14/h5-9H,1-4H3,(H3,12,13,14)/b6-5-,10-7+
InChIKeyLWYNHQGGXSYUAY-ZZWPSLBBSA-N
MW196.29 g/mol
LogP2.41
Rot. Bonds4

About [(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]urea

[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]urea (PubChem CID 138496323) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is [(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]urea.

Molecular Properties

Compound Name[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]urea
PubChem CID138496323
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]urea
SMILESCC(C)/C=C\C(=C/C(C)C)NC(N)=O
InChIInChI=1S/C11H20N2O/c1-8(2)5-6-10(7-9(3)4)13-11(12)14/h5-9H,1-4H3,(H3,12,13,14)/b6-5-,10-7+
InChIKeyLWYNHQGGXSYUAY-ZZWPSLBBSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-2,6-dimethylhepta-2,4-dienamide
CID 129311525
4-methyl-N-prop-2-enoylpent-2-enamide
CID 140774476
N-carbamoyl-2-methylpropanamide
CID 541584
(E)-2,6-dimethylhept-4-en-3-one;2,4-dimethylpentan-3-one
CID 161014897
3,5-dimethylhex-3-enamide
CID 76566666
5-methylhex-3-en-2-one;palladium(2+);dichloride
CID 173341273
4-aminopent-2-enamide
CID 90746791
molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene
CID 158020066
(1E,4E)-1-hydroxy-6-methylhepta-1,4-dien-3-one
CID 171377981
(E,3E)-3-ethylidene-6-methylhept-4-en-2-one
CID 91250506
N-carbamoyl-2-(methylamino)propanamide
CID 43086023
(E)-1-fluoro-5-methylhex-3-en-2-one
CID 12954299

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]urea?
The IUPAC name of [(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]urea (CID 138496323) is [(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]urea.
What is the SMILES notation for [(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]urea?
The canonical SMILES for [(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]urea is CC(C)/C=C\C(=C/C(C)C)NC(N)=O.
What is the InChIKey of [(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]urea?
The InChIKey is LWYNHQGGXSYUAY-ZZWPSLBBSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)5-6-10(7-9(3)4)13-11(12)14/h5-9H,1-4H3,(H3,12,13,14)/b6-5-,10-7+.
What are the key properties of [(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]urea?
[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]urea has a molecular weight of 196.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]urea is sourced from PubChem (CID 138496323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).