[(2E)-2-ethenylpenta-2,4-dienyl]urea

C8H12N2O — CID 143467054

IUPAC[(2E)-2-ethenylpenta-2,4-dienyl]urea
SMILESC=C/C=C(\C=C)CNC(N)=O
InChIInChI=1S/C8H12N2O/c1-3-5-7(4-2)6-10-8(9)11/h3-5H,1-2,6H2,(H3,9,10,11)/b7-5+
InChIKeyBSGSIJXZDVWOCV-FNORWQNLSA-N
MW152.20 g/mol
LogP0.95
Rot. Bonds4

About [(2E)-2-ethenylpenta-2,4-dienyl]urea

[(2E)-2-ethenylpenta-2,4-dienyl]urea (PubChem CID 143467054) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is [(2E)-2-ethenylpenta-2,4-dienyl]urea.

Molecular Properties

Compound Name[(2E)-2-ethenylpenta-2,4-dienyl]urea
PubChem CID143467054
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name[(2E)-2-ethenylpenta-2,4-dienyl]urea
SMILESC=C/C=C(\C=C)CNC(N)=O
InChIInChI=1S/C8H12N2O/c1-3-5-7(4-2)6-10-8(9)11/h3-5H,1-2,6H2,(H3,9,10,11)/b7-5+
InChIKeyBSGSIJXZDVWOCV-FNORWQNLSA-N
XLogP0.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea
CID 142108318
(6-Fluorocyclohexa-1,5-dien-1-yl)methylurea
CID 144293774
[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea
CID 164902264
Cyclohexa-1,5-dien-1-ylmethylurea
CID 18766888
2-Methylidenebut-3-enylurea
CID 88982925
2-Ethylhepta-2,4-dienylurea
CID 89030350
[(2E)-4-methylpenta-2,4-dienyl]urea
CID 89887474
1-Methyl-3-(2-methylidenebut-3-enyl)urea
CID 90221782
3-ethenyl-2H-pyridine-1-carboxamide
CID 91567330
3-Methylhepta-3,5-dien-2-ylurea
CID 123136968
3-Methylidenepent-4-enylurea
CID 123916806
N-[(2E,4Z)-2-ethenylhepta-2,4,6-trienyl]formamide
CID 126633431

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl]urea?
The IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl]urea (CID 143467054) is [(2E)-2-ethenylpenta-2,4-dienyl]urea.
What is the SMILES notation for [(2E)-2-ethenylpenta-2,4-dienyl]urea?
The canonical SMILES for [(2E)-2-ethenylpenta-2,4-dienyl]urea is C=C/C=C(\C=C)CNC(N)=O.
What is the InChIKey of [(2E)-2-ethenylpenta-2,4-dienyl]urea?
The InChIKey is BSGSIJXZDVWOCV-FNORWQNLSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-5-7(4-2)6-10-8(9)11/h3-5H,1-2,6H2,(H3,9,10,11)/b7-5+.
What are the key properties of [(2E)-2-ethenylpenta-2,4-dienyl]urea?
[(2E)-2-ethenylpenta-2,4-dienyl]urea has a molecular weight of 152.20 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-ethenylpenta-2,4-dienyl]urea is sourced from PubChem (CID 143467054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).