1-[(1Z)-buta-1,3-dienyl]-1-methylurea

C6H10N2O — CID 143534959

IUPAC1-[(1Z)-buta-1,3-dienyl]-1-methylurea
SMILESC=C/C=C\N(C)C(N)=O
InChIInChI=1S/C6H10N2O/c1-3-4-5-8(2)6(7)9/h3-5H,1H2,2H3,(H2,7,9)/b5-4-
InChIKeyILYMDBQBWDZOIS-PLNGDYQASA-N
MW126.16 g/mol
LogP0.70
Rot. Bonds2

About 1-[(1Z)-buta-1,3-dienyl]-1-methylurea

1-[(1Z)-buta-1,3-dienyl]-1-methylurea (PubChem CID 143534959) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-[(1Z)-buta-1,3-dienyl]-1-methylurea.

Molecular Properties

Compound Name1-[(1Z)-buta-1,3-dienyl]-1-methylurea
PubChem CID143534959
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-[(1Z)-buta-1,3-dienyl]-1-methylurea
SMILESC=C/C=C\N(C)C(N)=O
InChIInChI=1S/C6H10N2O/c1-3-4-5-8(2)6(7)9/h3-5H,1H2,2H3,(H2,7,9)/b5-4-
InChIKeyILYMDBQBWDZOIS-PLNGDYQASA-N
XLogP0.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.70
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

1,1-dimethyl-3-[(E)-prop-1-enyl]urea
CID 11819097
1H-Azepine-1-carboxamide
CID 21247429
Carbamoyl-1,4 dihydropyridine
CID 22402669
3-Butenyl-harnstoff
CID 53406735
Propenyl urea
CID 54130800
1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea
CID 90473859
1,1-dimethyl-3,3-bis[(E)-prop-1-enyl]urea
CID 10464711
3-[(E)-but-1-enyl]-1,1-dimethylurea
CID 10240909
[(Z)-prop-1-enyl]urea
CID 11263474
[(E)-prop-1-enyl]urea
CID 18791946
1,3-dimethyl-1-[(E)-prop-1-enyl]urea
CID 44554794
[(E)-but-1-enyl]urea
CID 53471596

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-1-methylurea?
The IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-1-methylurea (CID 143534959) is 1-[(1Z)-buta-1,3-dienyl]-1-methylurea.
What is the SMILES notation for 1-[(1Z)-buta-1,3-dienyl]-1-methylurea?
The canonical SMILES for 1-[(1Z)-buta-1,3-dienyl]-1-methylurea is C=C/C=C\N(C)C(N)=O.
What is the InChIKey of 1-[(1Z)-buta-1,3-dienyl]-1-methylurea?
The InChIKey is ILYMDBQBWDZOIS-PLNGDYQASA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-4-5-8(2)6(7)9/h3-5H,1H2,2H3,(H2,7,9)/b5-4-.
What are the key properties of 1-[(1Z)-buta-1,3-dienyl]-1-methylurea?
1-[(1Z)-buta-1,3-dienyl]-1-methylurea has a molecular weight of 126.16 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-buta-1,3-dienyl]-1-methylurea is sourced from PubChem (CID 143534959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).