N-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide

C9H16N2O — CID 143282267

IUPACN-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide
SMILES[H]/N=C/C(=C/C)NC(=O)C(C)(C)C
InChIInChI=1S/C9H16N2O/c1-5-7(6-10)11-8(12)9(2,3)4/h5-6,10H,1-4H3,(H,11,12)/b7-5-,10-6+
InChIKeyWDZFBHGXVRCFJT-ZPRNNRRZSA-N
MW168.24 g/mol
LogP1.70
Rot. Bonds2

About N-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide

N-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide (PubChem CID 143282267) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide
PubChem CID143282267
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide
SMILES[H]/N=C/C(=C/C)NC(=O)C(C)(C)C
InChIInChI=1S/C9H16N2O/c1-5-7(6-10)11-8(12)9(2,3)4/h5-6,10H,1-4H3,(H,11,12)/b7-5-,10-6+
InChIKeyWDZFBHGXVRCFJT-ZPRNNRRZSA-N
XLogP1.70
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.70
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

2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide
CID 123482195
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
ethane;N-[(E)-1-prop-2-ynyliminobut-2-en-2-yl]acetamide
CID 143328611
N-[(E)-4-ethenyliminobut-2-en-2-yl]butanamide
CID 146430026
N-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide
CID 147769981
N-buta-1,3-dien-2-yl-3-imino-2,2-dimethylpropanamide
CID 148383751
N-[(2E,4E)-6-imino-5-methylhexa-2,4-dien-2-yl]acetamide
CID 166702749
ethane;N-[(E)-1-methyliminobut-2-en-2-yl]acetamide
CID 170568844
N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide;molecular hydrogen
CID 170752068
ethane;N-[(E)-1-ethyliminobut-2-en-2-yl]acetamide;molecular hydrogen
CID 170752129

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide (CID 143282267) is N-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide is [H]/N=C/C(=C/C)NC(=O)C(C)(C)C.
What is the InChIKey of N-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide?
The InChIKey is WDZFBHGXVRCFJT-ZPRNNRRZSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-7(6-10)11-8(12)9(2,3)4/h5-6,10H,1-4H3,(H,11,12)/b7-5-,10-6+.
What are the key properties of N-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide?
N-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide has a molecular weight of 168.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 143282267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).