N-(ethylidenecarbamoyliminomethyl)-2-methylprop-2-enamide

C8H11N3O2 — CID 175248395

IUPACN-(ethylidenecarbamoyliminomethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC=NC(=O)N=CC
InChIInChI=1S/C8H11N3O2/c1-4-9-8(13)11-5-10-7(12)6(2)3/h4-5H,2H2,1,3H3,(H,10,11,12,13)
InChIKeyRJASKFCCPVPHBD-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.92
Rot. Bonds2

About N-(ethylidenecarbamoyliminomethyl)-2-methylprop-2-enamide

N-(ethylidenecarbamoyliminomethyl)-2-methylprop-2-enamide (PubChem CID 175248395) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(ethylidenecarbamoyliminomethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(ethylidenecarbamoyliminomethyl)-2-methylprop-2-enamide
PubChem CID175248395
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-(ethylidenecarbamoyliminomethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC=NC(=O)N=CC
InChIInChI=1S/C8H11N3O2/c1-4-9-8(13)11-5-10-7(12)6(2)3/h4-5H,2H2,1,3H3,(H,10,11,12,13)
InChIKeyRJASKFCCPVPHBD-UHFFFAOYSA-N
XLogP0.92
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(2-methylprop-2-enoylamino)methylidenecarbamoyliminomethyl]prop-2-enamide
CID 53649975
N-(carbamoyliminomethyl)-2-methylprop-2-enamide
CID 53663501
N-(2-carbamoyliminoethyl)-2-methylprop-2-enamide
CID 139747578
N-(3-carbamoyliminopropyl)-2-methylprop-2-enamide
CID 139747579
N-[2-(ethylidenecarbamoylimino)ethyl]-2-methylprop-2-enamide
CID 152240268
N-ethyl-2-methylprop-2-enamide;imidazol-2-one
CID 161410420
N-[N-(ethylidenecarbamoyl)-C-methylcarbonimidoyl]-2-methylprop-2-enamide
CID 174499070
N-[(ethylidenecarbamoylamino)methyl]-2-methylprop-2-enamide
CID 174910331

Frequently Asked Questions

What is the IUPAC name of N-(ethylidenecarbamoyliminomethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(ethylidenecarbamoyliminomethyl)-2-methylprop-2-enamide (CID 175248395) is N-(ethylidenecarbamoyliminomethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(ethylidenecarbamoyliminomethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(ethylidenecarbamoyliminomethyl)-2-methylprop-2-enamide is C=C(C)C(=O)NC=NC(=O)N=CC.
What is the InChIKey of N-(ethylidenecarbamoyliminomethyl)-2-methylprop-2-enamide?
The InChIKey is RJASKFCCPVPHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-9-8(13)11-5-10-7(12)6(2)3/h4-5H,2H2,1,3H3,(H,10,11,12,13).
What are the key properties of N-(ethylidenecarbamoyliminomethyl)-2-methylprop-2-enamide?
N-(ethylidenecarbamoyliminomethyl)-2-methylprop-2-enamide has a molecular weight of 181.19 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylidenecarbamoyliminomethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 175248395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).