N-[2-[[amino-(carbamoylamino)methylidene]amino]ethyl]-2-methylprop-2-enamide

C8H15N5O2 — CID 175194406

IUPACN-[2-[[amino-(carbamoylamino)methylidene]amino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC/N=C(\N)NC(N)=O
InChIInChI=1S/C8H15N5O2/c1-5(2)6(14)11-3-4-12-7(9)13-8(10)15/h1,3-4H2,2H3,(H,11,14)(H5,9,10,12,13,15)
InChIKeyLZQWGLLJQXVPIR-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.34
Rot. Bonds4

About N-[2-[[amino-(carbamoylamino)methylidene]amino]ethyl]-2-methylprop-2-enamide

N-[2-[[amino-(carbamoylamino)methylidene]amino]ethyl]-2-methylprop-2-enamide (PubChem CID 175194406) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-[2-[[amino-(carbamoylamino)methylidene]amino]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[[amino-(carbamoylamino)methylidene]amino]ethyl]-2-methylprop-2-enamide
PubChem CID175194406
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC NameN-[2-[[amino-(carbamoylamino)methylidene]amino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC/N=C(\N)NC(N)=O
InChIInChI=1S/C8H15N5O2/c1-5(2)6(14)11-3-4-12-7(9)13-8(10)15/h1,3-4H2,2H3,(H,11,14)(H5,9,10,12,13,15)
InChIKeyLZQWGLLJQXVPIR-UHFFFAOYSA-N
XLogP-1.34
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(carbamoylamino)methylidene]amino]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[[amino-(carbamoylamino)methylidene]amino]ethyl]-2-methylprop-2-enamide (CID 175194406) is N-[2-[[amino-(carbamoylamino)methylidene]amino]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[[amino-(carbamoylamino)methylidene]amino]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[[amino-(carbamoylamino)methylidene]amino]ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCC/N=C(\N)NC(N)=O.
What is the InChIKey of N-[2-[[amino-(carbamoylamino)methylidene]amino]ethyl]-2-methylprop-2-enamide?
The InChIKey is LZQWGLLJQXVPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-5(2)6(14)11-3-4-12-7(9)13-8(10)15/h1,3-4H2,2H3,(H,11,14)(H5,9,10,12,13,15).
What are the key properties of N-[2-[[amino-(carbamoylamino)methylidene]amino]ethyl]-2-methylprop-2-enamide?
N-[2-[[amino-(carbamoylamino)methylidene]amino]ethyl]-2-methylprop-2-enamide has a molecular weight of 213.24 g/mol, XLogP of -1.34, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(carbamoylamino)methylidene]amino]ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 175194406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).