[[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea

C11H21N3O — CID 5380500

IUPAC[[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea
SMILESC/C(=C/C(=NNC(N)=O)C(C)C)C(C)C
InChIInChI=1S/C11H21N3O/c1-7(2)9(5)6-10(8(3)4)13-14-11(12)15/h6-8H,1-5H3,(H3,12,14,15)/b9-6-,13-10?
InChIKeyRZRVYNOETONNKJ-NBBFJZPZSA-N
MW211.31 g/mol
LogP2.27
Rot. Bonds4

About [[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea

[[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea (PubChem CID 5380500) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is [[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea.

Molecular Properties

Compound Name[[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea
PubChem CID5380500
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name[[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea
SMILESC/C(=C/C(=NNC(N)=O)C(C)C)C(C)C
InChIInChI=1S/C11H21N3O/c1-7(2)9(5)6-10(8(3)4)13-14-11(12)15/h6-8H,1-5H3,(H3,12,14,15)/b9-6-,13-10?
InChIKeyRZRVYNOETONNKJ-NBBFJZPZSA-N
XLogP2.27
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea?
The IUPAC name of [[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea (CID 5380500) is [[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea.
What is the SMILES notation for [[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea?
The canonical SMILES for [[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea is C/C(=C/C(=NNC(N)=O)C(C)C)C(C)C.
What is the InChIKey of [[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea?
The InChIKey is RZRVYNOETONNKJ-NBBFJZPZSA-N. The full InChI is InChI=1S/C11H21N3O/c1-7(2)9(5)6-10(8(3)4)13-14-11(12)15/h6-8H,1-5H3,(H3,12,14,15)/b9-6-,13-10?.
What are the key properties of [[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea?
[[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea has a molecular weight of 211.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea is sourced from PubChem (CID 5380500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).