[(Z)-4,7-dimethyloct-6-en-3-ylideneamino]urea

C11H21N3O — CID 44563968

IUPAC[(Z)-4,7-dimethyloct-6-en-3-ylideneamino]urea
SMILESCC/C(=N/NC(N)=O)C(C)CC=C(C)C
InChIInChI=1S/C11H21N3O/c1-5-10(13-14-11(12)15)9(4)7-6-8(2)3/h6,9H,5,7H2,1-4H3,(H3,12,14,15)/b13-10-
InChIKeyMCBUGSCYFMVYBK-RAXLEYEMSA-N
MW211.31 g/mol
LogP2.41
Rot. Bonds5

About [(Z)-4,7-dimethyloct-6-en-3-ylideneamino]urea

[(Z)-4,7-dimethyloct-6-en-3-ylideneamino]urea (PubChem CID 44563968) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is [(Z)-4,7-dimethyloct-6-en-3-ylideneamino]urea.

Molecular Properties

Compound Name[(Z)-4,7-dimethyloct-6-en-3-ylideneamino]urea
PubChem CID44563968
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name[(Z)-4,7-dimethyloct-6-en-3-ylideneamino]urea
SMILESCC/C(=N/NC(N)=O)C(C)CC=C(C)C
InChIInChI=1S/C11H21N3O/c1-5-10(13-14-11(12)15)9(4)7-6-8(2)3/h6,9H,5,7H2,1-4H3,(H3,12,14,15)/b13-10-
InChIKeyMCBUGSCYFMVYBK-RAXLEYEMSA-N
XLogP2.41
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4,7-dimethyloct-6-en-3-ylideneamino]urea?
The IUPAC name of [(Z)-4,7-dimethyloct-6-en-3-ylideneamino]urea (CID 44563968) is [(Z)-4,7-dimethyloct-6-en-3-ylideneamino]urea.
What is the SMILES notation for [(Z)-4,7-dimethyloct-6-en-3-ylideneamino]urea?
The canonical SMILES for [(Z)-4,7-dimethyloct-6-en-3-ylideneamino]urea is CC/C(=N/NC(N)=O)C(C)CC=C(C)C.
What is the InChIKey of [(Z)-4,7-dimethyloct-6-en-3-ylideneamino]urea?
The InChIKey is MCBUGSCYFMVYBK-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-10(13-14-11(12)15)9(4)7-6-8(2)3/h6,9H,5,7H2,1-4H3,(H3,12,14,15)/b13-10-.
What are the key properties of [(Z)-4,7-dimethyloct-6-en-3-ylideneamino]urea?
[(Z)-4,7-dimethyloct-6-en-3-ylideneamino]urea has a molecular weight of 211.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4,7-dimethyloct-6-en-3-ylideneamino]urea is sourced from PubChem (CID 44563968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).