1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-dimethylurea

C10H16N2O — CID 145287162

IUPAC1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-dimethylurea
SMILESC=C/C=C(\C=C)CN(C)C(=O)NC
InChIInChI=1S/C10H16N2O/c1-5-7-9(6-2)8-12(4)10(13)11-3/h5-7H,1-2,8H2,3-4H3,(H,11,13)/b9-7+
InChIKeyBEBYSVTWVWSOCN-VQHVLOKHSA-N
MW180.25 g/mol
LogP1.56
Rot. Bonds4

About 1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-dimethylurea

1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-dimethylurea (PubChem CID 145287162) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-dimethylurea
PubChem CID145287162
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-dimethylurea
SMILESC=C/C=C(\C=C)CN(C)C(=O)NC
InChIInChI=1S/C10H16N2O/c1-5-7-9(6-2)8-12(4)10(13)11-3/h5-7H,1-2,8H2,3-4H3,(H,11,13)/b9-7+
InChIKeyBEBYSVTWVWSOCN-VQHVLOKHSA-N
XLogP1.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
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
[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea
CID 164902264
N-(cyclohexa-1,5-dien-1-ylmethyl)azetidine-1-carboxamide
CID 18670943
2-Methylidenebut-3-enylurea
CID 88982925
2-Ethylhepta-2,4-dienylurea
CID 89030350
[(4Z,6Z)-3-methylideneocta-4,6-dienyl]urea
CID 89058335
1-(Cyclohexa-1,5-dien-1-ylmethyl)-3-propylurea
CID 89168501
3-[(3Z,5Z)-6-amino-4-ethenylhexa-1,3,5-trien-2-yl]-1,1-dimethylurea
CID 89229687
1-Methyl-3-(2-methylidenebut-3-enyl)urea
CID 90221782
1-Methyl-3-(3-propan-2-ylideneocta-4,6-dien-2-yl)urea
CID 91119658
N,4-dimethyl-2H-pyridine-1-carboxamide
CID 91236671
1-Methyl-3-(3-methylidenehepta-4,6-dien-2-yl)urea
CID 91248256

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-dimethylurea?
The IUPAC name of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-dimethylurea (CID 145287162) is 1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-dimethylurea?
The canonical SMILES for 1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-dimethylurea is C=C/C=C(\C=C)CN(C)C(=O)NC.
What is the InChIKey of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-dimethylurea?
The InChIKey is BEBYSVTWVWSOCN-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-7-9(6-2)8-12(4)10(13)11-3/h5-7H,1-2,8H2,3-4H3,(H,11,13)/b9-7+.
What are the key properties of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-dimethylurea?
1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-dimethylurea has a molecular weight of 180.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-ethenylpenta-2,4-dienyl]-1,3-dimethylurea is sourced from PubChem (CID 145287162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).