N-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen

C10H20N2O — CID 157037320

IUPACN-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen
SMILESC/C=C(CNC(C)=O)\C(C)=N\CC.[H][H]
InChIInChI=1S/C10H18N2O.H2/c1-5-10(7-12-9(4)13)8(3)11-6-2;/h5H,6-7H2,1-4H3,(H,12,13);1H/b10-5-,11-8+;
InChIKeyOIZDOIVQSCRKAF-FDUVNSEYSA-N
MW184.28 g/mol
LogP1.80
Rot. Bonds4

About N-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen

N-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen (PubChem CID 157037320) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen
PubChem CID157037320
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen
SMILESC/C=C(CNC(C)=O)\C(C)=N\CC.[H][H]
InChIInChI=1S/C10H18N2O.H2/c1-5-10(7-12-9(4)13)8(3)11-6-2;/h5H,6-7H2,1-4H3,(H,12,13);1H/b10-5-,11-8+;
InChIKeyOIZDOIVQSCRKAF-FDUVNSEYSA-N
XLogP1.80
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-5,5-difluoro-2-methyl-4-methyliminopent-2-enyl]acetamide
CID 175634588
5-amino-N,4,5-trimethylpyrrole-2-carboxamide
CID 68087536
5-amino-N-cyclopropyl-4,5-dimethylpyrrole-2-carboxamide
CID 68087792
5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide
CID 70794845
2-ethanimidoyl-N-ethyl-3-methylbut-2-enamide
CID 89393527
(2E,6E)-2,7-diethyl-4,5-bis(methylimino)-N,N'-bis(prop-2-enyl)octa-2,6-dienediamide
CID 123202656
N-cyclopropyl-2-imino-4-methylpent-3-enamide
CID 123336525
(E)-N-butan-2-yl-2-ethyl-4-iminohex-2-enamide
CID 123433689
N-[(Z)-2-methyliminopent-3-enyl]acetamide
CID 124182649
N-propan-2-yl-2H-pyrrole-5-carboxamide
CID 134452772
(Z)-N-(cyclopropylmethyl)-2-ethyliminopent-3-enamide
CID 134479527
(Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide
CID 134479680

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen?
The IUPAC name of N-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen (CID 157037320) is N-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen.
What is the SMILES notation for N-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen?
The canonical SMILES for N-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen is C/C=C(CNC(C)=O)\C(C)=N\CC.[H][H].
What is the InChIKey of N-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen?
The InChIKey is OIZDOIVQSCRKAF-FDUVNSEYSA-N. The full InChI is InChI=1S/C10H18N2O.H2/c1-5-10(7-12-9(4)13)8(3)11-6-2;/h5H,6-7H2,1-4H3,(H,12,13);1H/b10-5-,11-8+;.
What are the key properties of N-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen?
N-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen has a molecular weight of 184.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen is sourced from PubChem (CID 157037320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).