N'-[(Z)-2-oxopropylideneamino]ethanimidamide

C5H9N3O — CID 123921261

IUPACN'-[(Z)-2-oxopropylideneamino]ethanimidamide
SMILESCC(=O)/C=N\N=C(C)N
InChIInChI=1S/C5H9N3O/c1-4(9)3-7-8-5(2)6/h3H,1-2H3,(H2,6,8)/b7-3-
InChIKeyZTYPZKHHRMPABY-CLTKARDFSA-N
MW127.15 g/mol
LogP-0.06
Rot. Bonds2

About N'-[(Z)-2-oxopropylideneamino]ethanimidamide

N'-[(Z)-2-oxopropylideneamino]ethanimidamide (PubChem CID 123921261) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is N'-[(Z)-2-oxopropylideneamino]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-oxopropylideneamino]ethanimidamide
PubChem CID123921261
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC NameN'-[(Z)-2-oxopropylideneamino]ethanimidamide
SMILESCC(=O)/C=N\N=C(C)N
InChIInChI=1S/C5H9N3O/c1-4(9)3-7-8-5(2)6/h3H,1-2H3,(H2,6,8)/b7-3-
InChIKeyZTYPZKHHRMPABY-CLTKARDFSA-N
XLogP-0.06
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-oxopropylideneurea
CID 154176026
N'-[(Z)-1-aminoethylideneamino]ethanimidamide;ethane
CID 143420874
[(E)-2-oxopropylideneamino]urea
CID 13238217
[(E)-2-oxopropylideneamino] acetate
CID 88532045
N-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide
CID 135446475
N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane
CID 176530749
acetic acid;2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine
CID 54603546
N'-(propan-2-ylideneamino)ethanimidamide
CID 85440843
acetamide
CID 139024037
N-[(E)-2-oxopropylideneamino]acetamide
CID 59676388
2-(1-aminoethylideneamino)-N,N-dimethylpropanamide
CID 63173364
acetamide;bismuthane
CID 174469104

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-oxopropylideneamino]ethanimidamide?
The IUPAC name of N'-[(Z)-2-oxopropylideneamino]ethanimidamide (CID 123921261) is N'-[(Z)-2-oxopropylideneamino]ethanimidamide.
What is the SMILES notation for N'-[(Z)-2-oxopropylideneamino]ethanimidamide?
The canonical SMILES for N'-[(Z)-2-oxopropylideneamino]ethanimidamide is CC(=O)/C=N\N=C(C)N.
What is the InChIKey of N'-[(Z)-2-oxopropylideneamino]ethanimidamide?
The InChIKey is ZTYPZKHHRMPABY-CLTKARDFSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4(9)3-7-8-5(2)6/h3H,1-2H3,(H2,6,8)/b7-3-.
What are the key properties of N'-[(Z)-2-oxopropylideneamino]ethanimidamide?
N'-[(Z)-2-oxopropylideneamino]ethanimidamide has a molecular weight of 127.15 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-oxopropylideneamino]ethanimidamide is sourced from PubChem (CID 123921261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).