N-[(E)-but-2-enyl]-3,4-bis(methylimino)butanamide

C10H17N3O — CID 178010820

IUPACN-[(E)-but-2-enyl]-3,4-bis(methylimino)butanamide
SMILESC/C=C/CNC(=O)CC(/C=N/C)=N/C
InChIInChI=1S/C10H17N3O/c1-4-5-6-13-10(14)7-9(12-3)8-11-2/h4-5,8H,6-7H2,1-3H3,(H,13,14)/b5-4+,11-8+,12-9-
InChIKeyCTWJZZCJRVSXKU-BHPVDCEVSA-N
MW195.27 g/mol
LogP0.84
Rot. Bonds5

About N-[(E)-but-2-enyl]-3,4-bis(methylimino)butanamide

N-[(E)-but-2-enyl]-3,4-bis(methylimino)butanamide (PubChem CID 178010820) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-3,4-bis(methylimino)butanamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-3,4-bis(methylimino)butanamide
PubChem CID178010820
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[(E)-but-2-enyl]-3,4-bis(methylimino)butanamide
SMILESC/C=C/CNC(=O)CC(/C=N/C)=N/C
InChIInChI=1S/C10H17N3O/c1-4-5-6-13-10(14)7-9(12-3)8-11-2/h4-5,8H,6-7H2,1-3H3,(H,13,14)/b5-4+,11-8+,12-9-
InChIKeyCTWJZZCJRVSXKU-BHPVDCEVSA-N
XLogP0.84
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-3,4-bis(methylimino)butanamide?
The IUPAC name of N-[(E)-but-2-enyl]-3,4-bis(methylimino)butanamide (CID 178010820) is N-[(E)-but-2-enyl]-3,4-bis(methylimino)butanamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-3,4-bis(methylimino)butanamide?
The canonical SMILES for N-[(E)-but-2-enyl]-3,4-bis(methylimino)butanamide is C/C=C/CNC(=O)CC(/C=N/C)=N/C.
What is the InChIKey of N-[(E)-but-2-enyl]-3,4-bis(methylimino)butanamide?
The InChIKey is CTWJZZCJRVSXKU-BHPVDCEVSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-5-6-13-10(14)7-9(12-3)8-11-2/h4-5,8H,6-7H2,1-3H3,(H,13,14)/b5-4+,11-8+,12-9-.
What are the key properties of N-[(E)-but-2-enyl]-3,4-bis(methylimino)butanamide?
N-[(E)-but-2-enyl]-3,4-bis(methylimino)butanamide has a molecular weight of 195.27 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-3,4-bis(methylimino)butanamide is sourced from PubChem (CID 178010820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).