N-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-bromobuta-1,3-dienyl]acetamide

C11H13BrN2O — CID 155091783

IUPACN-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-bromobuta-1,3-dienyl]acetamide
SMILESC=C/N=C(\C=C)N(/C=C(/Br)C=C)C(C)=O
InChIInChI=1S/C11H13BrN2O/c1-5-10(12)8-14(9(4)15)11(6-2)13-7-3/h5-8H,1-3H2,4H3/b10-8+,13-11+
InChIKeyCUBBGTPEOGCNPY-HATNNVTISA-N
MW269.14 g/mol
LogP2.99
Rot. Bonds4

About N-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-bromobuta-1,3-dienyl]acetamide

N-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-bromobuta-1,3-dienyl]acetamide (PubChem CID 155091783) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is N-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-bromobuta-1,3-dienyl]acetamide.

Molecular Properties

Compound NameN-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-bromobuta-1,3-dienyl]acetamide
PubChem CID155091783
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC NameN-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-bromobuta-1,3-dienyl]acetamide
SMILESC=C/N=C(\C=C)N(/C=C(/Br)C=C)C(C)=O
InChIInChI=1S/C11H13BrN2O/c1-5-10(12)8-14(9(4)15)11(6-2)13-7-3/h5-8H,1-3H2,4H3/b10-8+,13-11+
InChIKeyCUBBGTPEOGCNPY-HATNNVTISA-N
XLogP2.99
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(2-Ethenylimino-1-pyridinyl)ethanone
CID 89211494
1-(2-Methylimino-1-pyridinyl)ethanone
CID 91245618
N-[2-[[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-methylamino]ethyl]-N-methylacetamide
CID 134334561
1,8-Diazabicyclo[5.4.0]undeca-2,4,5,7,9-pentaen-11-one;ethane
CID 142933415
3-[(1Z)-buta-1,3-dienyl]-2-ethenylpyrimidin-4-one;ethane
CID 142933438
5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane
CID 143734142
5-bromo-2-ethenyl-6-hydroxy-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane
CID 143734144
1-[(1E)-2-bromobuta-1,3-dienyl]-2-ethenylpyrimidine-4,6-dione
CID 167065196
5-bromo-2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one
CID 174278906
1-(3-Bromo-2-methylimino-1-pyridinyl)propan-1-one
CID 178709861
2-(Dimethylamino)-7-bromo-5-hydropyridino[1,2-a]pyrimidin-4-one
CID 4677520
5-Bromo-2-methyl-3-prop-2-enylpyrimidin-4-one
CID 66309665

Frequently Asked Questions

What is the IUPAC name of N-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-bromobuta-1,3-dienyl]acetamide?
The IUPAC name of N-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-bromobuta-1,3-dienyl]acetamide (CID 155091783) is N-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-bromobuta-1,3-dienyl]acetamide.
What is the SMILES notation for N-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-bromobuta-1,3-dienyl]acetamide?
The canonical SMILES for N-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-bromobuta-1,3-dienyl]acetamide is C=C/N=C(\C=C)N(/C=C(/Br)C=C)C(C)=O.
What is the InChIKey of N-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-bromobuta-1,3-dienyl]acetamide?
The InChIKey is CUBBGTPEOGCNPY-HATNNVTISA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-5-10(12)8-14(9(4)15)11(6-2)13-7-3/h5-8H,1-3H2,4H3/b10-8+,13-11+.
What are the key properties of N-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-bromobuta-1,3-dienyl]acetamide?
N-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-bromobuta-1,3-dienyl]acetamide has a molecular weight of 269.14 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-bromobuta-1,3-dienyl]acetamide is sourced from PubChem (CID 155091783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).