N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide

C7H13N3O — CID 166663902

IUPACN-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide
SMILESC/N=C/C=C(\N)CNC(C)=O
InChIInChI=1S/C7H13N3O/c1-6(11)10-5-7(8)3-4-9-2/h3-4H,5,8H2,1-2H3,(H,10,11)/b7-3-,9-4+
InChIKeyAAHQIKJEAGLSTO-CITSBAIRSA-N
MW155.20 g/mol
LogP-0.33
Rot. Bonds3

About N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide

N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide (PubChem CID 166663902) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide
PubChem CID166663902
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide
SMILESC/N=C/C=C(\N)CNC(C)=O
InChIInChI=1S/C7H13N3O/c1-6(11)10-5-7(8)3-4-9-2/h3-4H,5,8H2,1-2H3,(H,10,11)/b7-3-,9-4+
InChIKeyAAHQIKJEAGLSTO-CITSBAIRSA-N
XLogP-0.33
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-[2-(dimethylamino)ethylamino]but-2-enylidene]amino]-N-methylacetamide
CID 90245492
N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide
CID 123878230
N-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]acetamide
CID 129262304
N-[(Z)-2-(ethylideneamino)but-2-enyl]formamide
CID 130340395
N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide
CID 134406768
N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide
CID 141868008
N-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide
CID 143158206
N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide
CID 143158240
ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide
CID 143158253
N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide;molecular hydrogen
CID 144511423
ethene;N-[(Z)-2-(methylideneamino)but-2-enyl]acetamide
CID 145591985
2-amino-4-methylimino-N-propan-2-ylbut-2-enamide
CID 157219921

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide?
The IUPAC name of N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide (CID 166663902) is N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide.
What is the SMILES notation for N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide?
The canonical SMILES for N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide is C/N=C/C=C(\N)CNC(C)=O.
What is the InChIKey of N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide?
The InChIKey is AAHQIKJEAGLSTO-CITSBAIRSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6(11)10-5-7(8)3-4-9-2/h3-4H,5,8H2,1-2H3,(H,10,11)/b7-3-,9-4+.
What are the key properties of N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide?
N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide has a molecular weight of 155.20 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide is sourced from PubChem (CID 166663902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).