N-but-1-en-2-yl-2-methyliminoacetamide

C7H12N2O — CID 122545106

IUPACN-but-1-en-2-yl-2-methyliminoacetamide
SMILESC=C(CC)NC(=O)/C=N/C
InChIInChI=1S/C7H12N2O/c1-4-6(2)9-7(10)5-8-3/h5H,2,4H2,1,3H3,(H,9,10)/b8-5+
InChIKeyBRIDSNCINBBHDP-VMPITWQZSA-N
MW140.19 g/mol
LogP0.73
Rot. Bonds3

About N-but-1-en-2-yl-2-methyliminoacetamide

N-but-1-en-2-yl-2-methyliminoacetamide (PubChem CID 122545106) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-but-1-en-2-yl-2-methyliminoacetamide.

Molecular Properties

Compound NameN-but-1-en-2-yl-2-methyliminoacetamide
PubChem CID122545106
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-but-1-en-2-yl-2-methyliminoacetamide
SMILESC=C(CC)NC(=O)/C=N/C
InChIInChI=1S/C7H12N2O/c1-4-6(2)9-7(10)5-8-3/h5H,2,4H2,1,3H3,(H,9,10)/b8-5+
InChIKeyBRIDSNCINBBHDP-VMPITWQZSA-N
XLogP0.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-2-methyliminoacetamide?
The IUPAC name of N-but-1-en-2-yl-2-methyliminoacetamide (CID 122545106) is N-but-1-en-2-yl-2-methyliminoacetamide.
What is the SMILES notation for N-but-1-en-2-yl-2-methyliminoacetamide?
The canonical SMILES for N-but-1-en-2-yl-2-methyliminoacetamide is C=C(CC)NC(=O)/C=N/C.
What is the InChIKey of N-but-1-en-2-yl-2-methyliminoacetamide?
The InChIKey is BRIDSNCINBBHDP-VMPITWQZSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-6(2)9-7(10)5-8-3/h5H,2,4H2,1,3H3,(H,9,10)/b8-5+.
What are the key properties of N-but-1-en-2-yl-2-methyliminoacetamide?
N-but-1-en-2-yl-2-methyliminoacetamide has a molecular weight of 140.19 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-2-methyliminoacetamide is sourced from PubChem (CID 122545106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).