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

C8H12N2O — CID 123901556

IUPAC[(3Z)-hepta-3,5-dien-2-ylidene]urea
SMILESCC=C/C=C\C(C)=NC(N)=O
InChIInChI=1S/C8H12N2O/c1-3-4-5-6-7(2)10-8(9)11/h3-6H,1-2H3,(H2,9,11)/b4-3?,6-5-,10-7?
InChIKeyIFBUKNMRVNIHEV-VAVRASFNSA-N
MW152.20 g/mol
LogP1.66
Rot. Bonds2

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

[(3Z)-hepta-3,5-dien-2-ylidene]urea (PubChem CID 123901556) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is [(3Z)-hepta-3,5-dien-2-ylidene]urea.

Molecular Properties

Compound Name[(3Z)-hepta-3,5-dien-2-ylidene]urea
PubChem CID123901556
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name[(3Z)-hepta-3,5-dien-2-ylidene]urea
SMILESCC=C/C=C\C(C)=NC(N)=O
InChIInChI=1S/C8H12N2O/c1-3-4-5-6-7(2)10-8(9)11/h3-6H,1-2H3,(H2,9,11)/b4-3?,6-5-,10-7?
InChIKeyIFBUKNMRVNIHEV-VAVRASFNSA-N
XLogP1.66
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.66
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

[(3Z)-5-methylhepta-3,5-dien-2-ylidene]urea
CID 123593160
[(4Z)-hexa-1,4-dien-3-ylidene]urea
CID 123714021
Benzimidazol-2-one;butane
CID 163443931
Benzimidazol-2-one;propane
CID 164118740
(3Z)-2-methyliminohexa-3,5-dienamide
CID 166785931
[(Z)-pent-3-en-2-ylidene]urea
CID 173905618
Pent-3-en-2-ylideneurea
CID 174541910

Frequently Asked Questions

What is the IUPAC name of [(3Z)-hepta-3,5-dien-2-ylidene]urea?
The IUPAC name of [(3Z)-hepta-3,5-dien-2-ylidene]urea (CID 123901556) is [(3Z)-hepta-3,5-dien-2-ylidene]urea.
What is the SMILES notation for [(3Z)-hepta-3,5-dien-2-ylidene]urea?
The canonical SMILES for [(3Z)-hepta-3,5-dien-2-ylidene]urea is CC=C/C=C\C(C)=NC(N)=O.
What is the InChIKey of [(3Z)-hepta-3,5-dien-2-ylidene]urea?
The InChIKey is IFBUKNMRVNIHEV-VAVRASFNSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-4-5-6-7(2)10-8(9)11/h3-6H,1-2H3,(H2,9,11)/b4-3?,6-5-,10-7?.
What are the key properties of [(3Z)-hepta-3,5-dien-2-ylidene]urea?
[(3Z)-hepta-3,5-dien-2-ylidene]urea has a molecular weight of 152.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-hepta-3,5-dien-2-ylidene]urea is sourced from PubChem (CID 123901556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).