2-methanimidoyl-N,3-dimethylbut-2-enamide

C7H12N2O — CID 89393510

IUPAC2-methanimidoyl-N,3-dimethylbut-2-enamide
SMILES[H]/N=C/C(C(=O)NC)=C(C)C
InChIInChI=1S/C7H12N2O/c1-5(2)6(4-8)7(10)9-3/h4,8H,1-3H3,(H,9,10)/b8-4+
InChIKeyYISYTTYGNIQPDQ-XBXARRHUSA-N
MW140.19 g/mol
LogP0.72
Rot. Bonds2

About 2-methanimidoyl-N,3-dimethylbut-2-enamide

2-methanimidoyl-N,3-dimethylbut-2-enamide (PubChem CID 89393510) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-methanimidoyl-N,3-dimethylbut-2-enamide.

Molecular Properties

Compound Name2-methanimidoyl-N,3-dimethylbut-2-enamide
PubChem CID89393510
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-methanimidoyl-N,3-dimethylbut-2-enamide
SMILES[H]/N=C/C(C(=O)NC)=C(C)C
InChIInChI=1S/C7H12N2O/c1-5(2)6(4-8)7(10)9-3/h4,8H,1-3H3,(H,9,10)/b8-4+
InChIKeyYISYTTYGNIQPDQ-XBXARRHUSA-N
XLogP0.72
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-N,3-dimethylbut-2-enamide?
The IUPAC name of 2-methanimidoyl-N,3-dimethylbut-2-enamide (CID 89393510) is 2-methanimidoyl-N,3-dimethylbut-2-enamide.
What is the SMILES notation for 2-methanimidoyl-N,3-dimethylbut-2-enamide?
The canonical SMILES for 2-methanimidoyl-N,3-dimethylbut-2-enamide is [H]/N=C/C(C(=O)NC)=C(C)C.
What is the InChIKey of 2-methanimidoyl-N,3-dimethylbut-2-enamide?
The InChIKey is YISYTTYGNIQPDQ-XBXARRHUSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(2)6(4-8)7(10)9-3/h4,8H,1-3H3,(H,9,10)/b8-4+.
What are the key properties of 2-methanimidoyl-N,3-dimethylbut-2-enamide?
2-methanimidoyl-N,3-dimethylbut-2-enamide has a molecular weight of 140.19 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-N,3-dimethylbut-2-enamide is sourced from PubChem (CID 89393510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).