[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]urea

C9H16N2O — CID 139566378

IUPAC[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]urea
SMILESC/C=C\C(C)=C/C(C)NC(N)=O
InChIInChI=1S/C9H16N2O/c1-4-5-7(2)6-8(3)11-9(10)12/h4-6,8H,1-3H3,(H3,10,11,12)/b5-4-,7-6-
InChIKeyLTVRKNRKLMHDSZ-RZSVFLSASA-N
MW168.24 g/mol
LogP1.57
Rot. Bonds3

About [(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]urea

[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]urea (PubChem CID 139566378) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is [(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]urea.

Molecular Properties

Compound Name[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]urea
PubChem CID139566378
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]urea
SMILESC/C=C\C(C)=C/C(C)NC(N)=O
InChIInChI=1S/C9H16N2O/c1-4-5-7(2)6-8(3)11-9(10)12/h4-6,8H,1-3H3,(H3,10,11,12)/b5-4-,7-6-
InChIKeyLTVRKNRKLMHDSZ-RZSVFLSASA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]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 [(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]urea?
The IUPAC name of [(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]urea (CID 139566378) is [(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]urea.
What is the SMILES notation for [(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]urea?
The canonical SMILES for [(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]urea is C/C=C\C(C)=C/C(C)NC(N)=O.
What is the InChIKey of [(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]urea?
The InChIKey is LTVRKNRKLMHDSZ-RZSVFLSASA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-5-7(2)6-8(3)11-9(10)12/h4-6,8H,1-3H3,(H3,10,11,12)/b5-4-,7-6-.
What are the key properties of [(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]urea?
[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]urea has a molecular weight of 168.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]urea is sourced from PubChem (CID 139566378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).