N-(2-carbamoyliminoethyl)-2-methylprop-2-enamide

C7H11N3O2 — CID 139747578

IUPACN-(2-carbamoyliminoethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC=NC(N)=O
InChIInChI=1S/C7H11N3O2/c1-5(2)6(11)9-3-4-10-7(8)12/h4H,1,3H2,2H3,(H2,8,12)(H,9,11)
InChIKeyLHDKFRKYASTSCU-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.17
Rot. Bonds3

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

N-(2-carbamoyliminoethyl)-2-methylprop-2-enamide (PubChem CID 139747578) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(2-carbamoyliminoethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-carbamoyliminoethyl)-2-methylprop-2-enamide
PubChem CID139747578
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-(2-carbamoyliminoethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC=NC(N)=O
InChIInChI=1S/C7H11N3O2/c1-5(2)6(11)9-3-4-10-7(8)12/h4H,1,3H2,2H3,(H2,8,12)(H,9,11)
InChIKeyLHDKFRKYASTSCU-UHFFFAOYSA-N
XLogP-0.17
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyliminoethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2-carbamoyliminoethyl)-2-methylprop-2-enamide (CID 139747578) is N-(2-carbamoyliminoethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-carbamoyliminoethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2-carbamoyliminoethyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCC=NC(N)=O.
What is the InChIKey of N-(2-carbamoyliminoethyl)-2-methylprop-2-enamide?
The InChIKey is LHDKFRKYASTSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5(2)6(11)9-3-4-10-7(8)12/h4H,1,3H2,2H3,(H2,8,12)(H,9,11).
What are the key properties of N-(2-carbamoyliminoethyl)-2-methylprop-2-enamide?
N-(2-carbamoyliminoethyl)-2-methylprop-2-enamide has a molecular weight of 169.18 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyliminoethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 139747578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).