2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide

C9H16N2O — CID 134566878

IUPAC2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide
SMILESC=C(/C=N/C)NC(=O)C(C)(C)C
InChIInChI=1S/C9H16N2O/c1-7(6-10-5)11-8(12)9(2,3)4/h6H,1H2,2-5H3,(H,11,12)/b10-6+
InChIKeyVLDUMOXZEMSQOK-UXBLZVDNSA-N
MW168.24 g/mol
LogP1.36
Rot. Bonds2

About 2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide

2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide (PubChem CID 134566878) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide
PubChem CID134566878
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide
SMILESC=C(/C=N/C)NC(=O)C(C)(C)C
InChIInChI=1S/C9H16N2O/c1-7(6-10-5)11-8(12)9(2,3)4/h6H,1H2,2-5H3,(H,11,12)/b10-6+
InChIKeyVLDUMOXZEMSQOK-UXBLZVDNSA-N
XLogP1.36
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.36
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 2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide (CID 134566878) is 2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide is C=C(/C=N/C)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide?
The InChIKey is VLDUMOXZEMSQOK-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(6-10-5)11-8(12)9(2,3)4/h6H,1H2,2-5H3,(H,11,12)/b10-6+.
What are the key properties of 2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide?
2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide has a molecular weight of 168.24 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide is sourced from PubChem (CID 134566878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).