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

C9H14N2O — CID 123593160

IUPAC[(3Z)-5-methylhepta-3,5-dien-2-ylidene]urea
SMILESCC=C(C)/C=C\C(C)=NC(N)=O
InChIInChI=1S/C9H14N2O/c1-4-7(2)5-6-8(3)11-9(10)12/h4-6H,1-3H3,(H2,10,12)/b6-5-,7-4?,11-8?
InChIKeyIBWLJHGZJIPUFP-IJMSXMRTSA-N
MW166.22 g/mol
LogP2.05
Rot. Bonds2

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

[(3Z)-5-methylhepta-3,5-dien-2-ylidene]urea (PubChem CID 123593160) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is [(3Z)-5-methylhepta-3,5-dien-2-ylidene]urea.

Molecular Properties

Compound Name[(3Z)-5-methylhepta-3,5-dien-2-ylidene]urea
PubChem CID123593160
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name[(3Z)-5-methylhepta-3,5-dien-2-ylidene]urea
SMILESCC=C(C)/C=C\C(C)=NC(N)=O
InChIInChI=1S/C9H14N2O/c1-4-7(2)5-6-8(3)11-9(10)12/h4-6H,1-3H3,(H2,10,12)/b6-5-,7-4?,11-8?
InChIKeyIBWLJHGZJIPUFP-IJMSXMRTSA-N
XLogP2.05
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(3Z)-3-methylhepta-3,5-dien-2-ylidene]guanidine
CID 123634847
[(4Z)-hexa-1,4-dien-3-ylidene]urea
CID 123714021
[(3Z)-hepta-3,5-dien-2-ylidene]urea
CID 123901556
(3Z)-2-imino-6-methylhepta-3,5-dienamide
CID 126540319
1-[(3Z,5Z)-3-methylhepta-3,5-dien-2-ylidene]guanidine
CID 146779452
(4-Methylcyclohexa-2,4-dien-1-ylidene)-(oxomethylidene)azanium
CID 163439372
[(Z)-pent-3-en-2-ylidene]urea
CID 173905618
Pent-3-en-2-ylideneurea
CID 174541910
4-Methylbenzimidazole-1,3-diium-2-one
CID 86306466
[4-(4-Acetyliminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium
CID 100952885
N-[4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
CID 100952886

Frequently Asked Questions

What is the IUPAC name of [(3Z)-5-methylhepta-3,5-dien-2-ylidene]urea?
The IUPAC name of [(3Z)-5-methylhepta-3,5-dien-2-ylidene]urea (CID 123593160) is [(3Z)-5-methylhepta-3,5-dien-2-ylidene]urea.
What is the SMILES notation for [(3Z)-5-methylhepta-3,5-dien-2-ylidene]urea?
The canonical SMILES for [(3Z)-5-methylhepta-3,5-dien-2-ylidene]urea is CC=C(C)/C=C\C(C)=NC(N)=O.
What is the InChIKey of [(3Z)-5-methylhepta-3,5-dien-2-ylidene]urea?
The InChIKey is IBWLJHGZJIPUFP-IJMSXMRTSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-7(2)5-6-8(3)11-9(10)12/h4-6H,1-3H3,(H2,10,12)/b6-5-,7-4?,11-8?.
What are the key properties of [(3Z)-5-methylhepta-3,5-dien-2-ylidene]urea?
[(3Z)-5-methylhepta-3,5-dien-2-ylidene]urea has a molecular weight of 166.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-5-methylhepta-3,5-dien-2-ylidene]urea is sourced from PubChem (CID 123593160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).