N-[2-[[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-methylamino]ethyl]-N-methylacetamide

C12H21N3O — CID 134334561

IUPACN-[2-[[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-methylamino]ethyl]-N-methylacetamide
SMILESC=C/C(=N\C=C/C)N(C)CCN(C)C(C)=O
InChIInChI=1S/C12H21N3O/c1-6-8-13-12(7-2)15(5)10-9-14(4)11(3)16/h6-8H,2,9-10H2,1,3-5H3/b8-6-,13-12+
InChIKeySLVCSAKYPJMDDY-XXKCFVJZSA-N
MW223.32 g/mol
LogP1.51
Rot. Bonds5

About N-[2-[[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-methylamino]ethyl]-N-methylacetamide

N-[2-[[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-methylamino]ethyl]-N-methylacetamide (PubChem CID 134334561) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[2-[[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-methylamino]ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-methylamino]ethyl]-N-methylacetamide
PubChem CID134334561
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[2-[[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-methylamino]ethyl]-N-methylacetamide
SMILESC=C/C(=N\C=C/C)N(C)CCN(C)C(C)=O
InChIInChI=1S/C12H21N3O/c1-6-8-13-12(7-2)15(5)10-9-14(4)11(3)16/h6-8H,2,9-10H2,1,3-5H3/b8-6-,13-12+
InChIKeySLVCSAKYPJMDDY-XXKCFVJZSA-N
XLogP1.51
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.51
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'}

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Related Compounds

1-(2-Ethenylimino-1-pyridinyl)ethanone
CID 89211494
1-[3-methylimino-4-[(Z)-prop-1-enyl]piperazin-1-yl]ethanone
CID 90091367
1-(2-Methylimino-1-pyridinyl)ethanone
CID 91245618
N-methyl-N-[2-(2-methyl-4-oxopyrimidin-1-yl)ethyl]acetamide
CID 130451917
3-[(1Z)-buta-1,3-dienyl]-2-ethenylpyrimidin-4-one;ethane
CID 142933438
ethane;2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one
CID 143195780
Ethane;1-(2,6,7,9-tetrahydropyrazino[1,2-a]pyrimidin-8-yl)ethanone
CID 145579576
N-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-bromobuta-1,3-dienyl]acetamide
CID 155091783
2,3-Bis(ethenyl)-6-methylpyrimidin-4-one;ethane
CID 156748854
2,3-Dimethylpyrimidin-4-one;ethane
CID 157243078
1-[4-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-1-yl]prop-2-en-1-one
CID 169205233
N-Methyl-N-(1-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)acetamide
CID 121227402

Frequently Asked Questions

What is the IUPAC name of N-[2-[[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-methylamino]ethyl]-N-methylacetamide?
The IUPAC name of N-[2-[[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-methylamino]ethyl]-N-methylacetamide (CID 134334561) is N-[2-[[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-methylamino]ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-methylamino]ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-[[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-methylamino]ethyl]-N-methylacetamide is C=C/C(=N\C=C/C)N(C)CCN(C)C(C)=O.
What is the InChIKey of N-[2-[[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-methylamino]ethyl]-N-methylacetamide?
The InChIKey is SLVCSAKYPJMDDY-XXKCFVJZSA-N. The full InChI is InChI=1S/C12H21N3O/c1-6-8-13-12(7-2)15(5)10-9-14(4)11(3)16/h6-8H,2,9-10H2,1,3-5H3/b8-6-,13-12+.
What are the key properties of N-[2-[[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-methylamino]ethyl]-N-methylacetamide?
N-[2-[[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-methylamino]ethyl]-N-methylacetamide has a molecular weight of 223.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-methylamino]ethyl]-N-methylacetamide is sourced from PubChem (CID 134334561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).