N,N-dimethylprop-2-enamide;isocyanic acid

C6H10N2O2 — CID 172679295

IUPACN,N-dimethylprop-2-enamide;isocyanic acid
SMILESC=CC(=O)N(C)C.N=C=O
InChIInChI=1S/C5H9NO.CHNO/c1-4-5(7)6(2)3;2-1-3/h4H,1H2,2-3H3;2H
InChIKeyAEGMJKXUFSEAGS-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.16
Rot. Bonds1

About N,N-dimethylprop-2-enamide;isocyanic acid

N,N-dimethylprop-2-enamide;isocyanic acid (PubChem CID 172679295) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N,N-dimethylprop-2-enamide;isocyanic acid.

Molecular Properties

Compound NameN,N-dimethylprop-2-enamide;isocyanic acid
PubChem CID172679295
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN,N-dimethylprop-2-enamide;isocyanic acid
SMILESC=CC(=O)N(C)C.N=C=O
InChIInChI=1S/C5H9NO.CHNO/c1-4-5(7)6(2)3;2-1-3/h4H,1H2,2-3H3;2H
InChIKeyAEGMJKXUFSEAGS-UHFFFAOYSA-N
XLogP0.16
TPSA61.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylprop-2-enamide;furan-2,5-dione
CID 131984550
N-methyl-N-(sulfanylmethyl)prop-2-enamide
CID 170148935
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide
CID 87731814
CID 58422062
CID 58422062
(2Z)-N,N-dimethylpenta-2,4-dienamide;ethane
CID 143678790
N,N-dimethylmethanamine;prop-2-enoic acid
CID 87439346
N-(2-aminopropyl)-N-methylprop-2-enamide
CID 130563514
4-[methyl(prop-2-enoyl)amino]butanoic acid
CID 43151837
N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide;hydrazine
CID 162091587
N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 23525820
ethenamine;isocyanic acid
CID 174866502

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylprop-2-enamide;isocyanic acid?
The IUPAC name of N,N-dimethylprop-2-enamide;isocyanic acid (CID 172679295) is N,N-dimethylprop-2-enamide;isocyanic acid.
What is the SMILES notation for N,N-dimethylprop-2-enamide;isocyanic acid?
The canonical SMILES for N,N-dimethylprop-2-enamide;isocyanic acid is C=CC(=O)N(C)C.N=C=O.
What is the InChIKey of N,N-dimethylprop-2-enamide;isocyanic acid?
The InChIKey is AEGMJKXUFSEAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.CHNO/c1-4-5(7)6(2)3;2-1-3/h4H,1H2,2-3H3;2H.
What are the key properties of N,N-dimethylprop-2-enamide;isocyanic acid?
N,N-dimethylprop-2-enamide;isocyanic acid has a molecular weight of 142.16 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-enamide;isocyanic acid is sourced from PubChem (CID 172679295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).