N-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide

C9H16N2O — CID 171544490

IUPACN-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide
SMILESC/C=C(C)\C(N)=N\C(=O)CCC
InChIInChI=1S/C9H16N2O/c1-4-6-8(12)11-9(10)7(3)5-2/h5H,4,6H2,1-3H3,(H2,10,11,12)/b7-5-
InChIKeyZCGXBVNYKNGXAU-ALCCZGGFSA-N
MW168.24 g/mol
LogP1.64
Rot. Bonds3

About N-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide

N-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide (PubChem CID 171544490) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide
PubChem CID171544490
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide
SMILESC/C=C(C)\C(N)=N\C(=O)CCC
InChIInChI=1S/C9H16N2O/c1-4-6-8(12)11-9(10)7(3)5-2/h5H,4,6H2,1-3H3,(H2,10,11,12)/b7-5-
InChIKeyZCGXBVNYKNGXAU-ALCCZGGFSA-N
XLogP1.64
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide?
The IUPAC name of N-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide (CID 171544490) is N-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide.
What is the SMILES notation for N-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide?
The canonical SMILES for N-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide is C/C=C(C)\C(N)=N\C(=O)CCC.
What is the InChIKey of N-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide?
The InChIKey is ZCGXBVNYKNGXAU-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-6-8(12)11-9(10)7(3)5-2/h5H,4,6H2,1-3H3,(H2,10,11,12)/b7-5-.
What are the key properties of N-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide?
N-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide has a molecular weight of 168.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide is sourced from PubChem (CID 171544490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).