2-(ethyliminomethylimino)propanamide

C6H11N3O — CID 90245736

IUPAC2-(ethyliminomethylimino)propanamide
SMILESCC/N=C/N=C(\C)C(N)=O
InChIInChI=1S/C6H11N3O/c1-3-8-4-9-5(2)6(7)10/h4H,3H2,1-2H3,(H2,7,10)/b8-4+,9-5+
InChIKeyUJALGNPLJWSJGY-KBXRYBNXSA-N
MW141.17 g/mol
LogP-0.02
Rot. Bonds3

About 2-(ethyliminomethylimino)propanamide

2-(ethyliminomethylimino)propanamide (PubChem CID 90245736) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(ethyliminomethylimino)propanamide.

Molecular Properties

Compound Name2-(ethyliminomethylimino)propanamide
PubChem CID90245736
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(ethyliminomethylimino)propanamide
SMILESCC/N=C/N=C(\C)C(N)=O
InChIInChI=1S/C6H11N3O/c1-3-8-4-9-5(2)6(7)10/h4H,3H2,1-2H3,(H2,7,10)/b8-4+,9-5+
InChIKeyUJALGNPLJWSJGY-KBXRYBNXSA-N
XLogP-0.02
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.02
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'}

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Related Compounds

N-(ethyliminomethyl)ethanimidoyl chloride
CID 164996228
N'-(ethyliminomethyl)-N,N-dimethylethanimidamide
CID 123345967
2-[1-[(2E,3Z)-2,3-di(ethylidene)-4,4-dimethylpyrrolidin-1-yl]-1-(ethyliminomethylimino)propan-2-yl]iminopropanamide
CID 145312573
ethane;(2Z)-2-hydroxyiminopropanamide
CID 143459456
2-amino-4-ethyliminobut-2-enoic acid
CID 173228167
N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide
CID 170752069
acetamide;hexanal
CID 157359480
(E)-3-ethenyl-5-ethyliminopent-3-en-2-one
CID 89374290
acetamide;formic acid
CID 19762194
2-methylpent-2-enamide
CID 66895957
(2Z)-2-(methylhydrazinylidene)propanamide
CID 55290878
2-[2-[2-[(1-amino-1-oxopropan-2-ylidene)amino]ethyldisulfanyl]ethylimino]propanamide
CID 91317389

Frequently Asked Questions

What is the IUPAC name of 2-(ethyliminomethylimino)propanamide?
The IUPAC name of 2-(ethyliminomethylimino)propanamide (CID 90245736) is 2-(ethyliminomethylimino)propanamide.
What is the SMILES notation for 2-(ethyliminomethylimino)propanamide?
The canonical SMILES for 2-(ethyliminomethylimino)propanamide is CC/N=C/N=C(\C)C(N)=O.
What is the InChIKey of 2-(ethyliminomethylimino)propanamide?
The InChIKey is UJALGNPLJWSJGY-KBXRYBNXSA-N. The full InChI is InChI=1S/C6H11N3O/c1-3-8-4-9-5(2)6(7)10/h4H,3H2,1-2H3,(H2,7,10)/b8-4+,9-5+.
What are the key properties of 2-(ethyliminomethylimino)propanamide?
2-(ethyliminomethylimino)propanamide has a molecular weight of 141.17 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethyliminomethylimino)propanamide is sourced from PubChem (CID 90245736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).