N-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide

C8H14N2O — CID 147769981

IUPACN-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide
SMILES[H]/N=C/C(=C)NC(=O)C(C)(C)C
InChIInChI=1S/C8H14N2O/c1-6(5-9)10-7(11)8(2,3)4/h5,9H,1H2,2-4H3,(H,10,11)/b9-5+
InChIKeyHFSUMRAGSGDTGO-WEVVVXLNSA-N
MW154.21 g/mol
LogP1.31
Rot. Bonds2

About N-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide

N-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide (PubChem CID 147769981) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide
PubChem CID147769981
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide
SMILES[H]/N=C/C(=C)NC(=O)C(C)(C)C
InChIInChI=1S/C8H14N2O/c1-6(5-9)10-7(11)8(2,3)4/h5,9H,1H2,2-4H3,(H,10,11)/b9-5+
InChIKeyHFSUMRAGSGDTGO-WEVVVXLNSA-N
XLogP1.31
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide
CID 89156140
N-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide
CID 129171349
2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide
CID 134566878
N-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide
CID 138722404
N-[(E)-1-amino-3-iminoprop-1-en-2-yl]-2-methylpropanamide
CID 139357874
N-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide
CID 143282267
N-buta-1,3-dien-2-yl-3-imino-2,2-dimethylpropanamide
CID 148383751
N-[(E)-1-amino-3-iminoprop-1-en-2-yl]acetamide
CID 148545749
N-(3-iminoprop-1-en-2-yl)acetamide
CID 166654801
N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide;molecular hydrogen
CID 170752068
N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide;molecular hydrogen
CID 170752207
2-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]propanamide
CID 143280028

Frequently Asked Questions

What is the IUPAC name of N-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide (CID 147769981) is N-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide is [H]/N=C/C(=C)NC(=O)C(C)(C)C.
What is the InChIKey of N-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide?
The InChIKey is HFSUMRAGSGDTGO-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(5-9)10-7(11)8(2,3)4/h5,9H,1H2,2-4H3,(H,10,11)/b9-5+.
What are the key properties of N-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide?
N-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide has a molecular weight of 154.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 147769981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).