N-(3-iminopropyl)-2-methylprop-2-enamide

C7H12N2O — CID 54164226

IUPACN-(3-iminopropyl)-2-methylprop-2-enamide
SMILES[H]/N=C/CCNC(=O)C(=C)C
InChIInChI=1S/C7H12N2O/c1-6(2)7(10)9-5-3-4-8/h4,8H,1,3,5H2,2H3,(H,9,10)/b8-4+
InChIKeyOQNJOLIQDFIAGC-XBXARRHUSA-N
MW140.19 g/mol
LogP0.72
Rot. Bonds4

About N-(3-iminopropyl)-2-methylprop-2-enamide

N-(3-iminopropyl)-2-methylprop-2-enamide (PubChem CID 54164226) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(3-iminopropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(3-iminopropyl)-2-methylprop-2-enamide
PubChem CID54164226
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-(3-iminopropyl)-2-methylprop-2-enamide
SMILES[H]/N=C/CCNC(=O)C(=C)C
InChIInChI=1S/C7H12N2O/c1-6(2)7(10)9-5-3-4-8/h4,8H,1,3,5H2,2H3,(H,9,10)/b8-4+
InChIKeyOQNJOLIQDFIAGC-XBXARRHUSA-N
XLogP0.72
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-Ethylmethacrylamide
CID 10313114
2-Methyl-N-propylprop-2-enamide
CID 9793765
N-(3-Aminopropyl) methacrylamide
CID 2734954
3-(2-Methylprop-2-enoylamino)propylazanium
CID 7018867
CID 22964802
CID 22964802
N-[3-(3-aminopropylimino)propyl]-2-methylprop-2-enamide
CID 54090962
N-(2-hydroxyiminoethyl)-2-methylprop-2-enamide
CID 88625117
N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide
CID 88746597
N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide
CID 88746677
N-(2-amino-2-oxoethyl)-2-methanimidoylprop-2-enamide
CID 89278618
2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide
CID 118147374
2-methanimidoyl-N-methylprop-2-enamide
CID 123223415

Frequently Asked Questions

What is the IUPAC name of N-(3-iminopropyl)-2-methylprop-2-enamide?
The IUPAC name of N-(3-iminopropyl)-2-methylprop-2-enamide (CID 54164226) is N-(3-iminopropyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(3-iminopropyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(3-iminopropyl)-2-methylprop-2-enamide is [H]/N=C/CCNC(=O)C(=C)C.
What is the InChIKey of N-(3-iminopropyl)-2-methylprop-2-enamide?
The InChIKey is OQNJOLIQDFIAGC-XBXARRHUSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(2)7(10)9-5-3-4-8/h4,8H,1,3,5H2,2H3,(H,9,10)/b8-4+.
What are the key properties of N-(3-iminopropyl)-2-methylprop-2-enamide?
N-(3-iminopropyl)-2-methylprop-2-enamide has a molecular weight of 140.19 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iminopropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 54164226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).