(1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide

C8H10N4O3 — CID 88846142

IUPAC(1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
SMILESCO/N=C(/C#N)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C8H10N4O3/c1-15-12-6(4-9)7(13)11-8(14)10-5-2-3-5/h5H,2-3H2,1H3,(H2,10,11,13,14)/b12-6-
InChIKeyOYRAAGJEBRMKQS-SDQBBNPISA-N
MW210.19 g/mol
LogP-0.50
Rot. Bonds3

About (1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide

(1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide (PubChem CID 88846142) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is (1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
PubChem CID88846142
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name(1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
SMILESCO/N=C(/C#N)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C8H10N4O3/c1-15-12-6(4-9)7(13)11-8(14)10-5-2-3-5/h5H,2-3H2,1H3,(H2,10,11,13,14)/b12-6-
InChIKeyOYRAAGJEBRMKQS-SDQBBNPISA-N
XLogP-0.50
TPSA103.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
CID 154103046
(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
CID 5364079
N-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide
CID 54155508
(1E)-N-methoxy-2-oxo-2-[(2E)-2-(2,2,2-trichloroethylidene)hydrazinyl]ethanimidoyl cyanide
CID 117063855
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
methyl N-[4-[[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]carbamoylamino]cyclohexyl]carbamate
CID 144980905
methyl N-(cyclopropylcarbamoylamino)carbamate
CID 131203587
1-(cyanomethyl)-3-cyclobutylurea
CID 116658248
2-[[(2Z)-2-cyano-2-methoxyiminoacetyl]amino]-3-methylsulfonylpropanoic acid
CID 23274937
2-[[(2Z)-2-cyano-2-methoxyiminoacetyl]amino]-4-methylsulfonylbutanoic acid
CID 23275236
methyl (Z)-2-cyano-3-(cyclopropylamino)-3-methylsulfanylprop-2-enoate
CID 134112818
2-(cyclopropylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 47127449

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide (CID 88846142) is (1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide is CO/N=C(/C#N)C(=O)NC(=O)NC1CC1.
What is the InChIKey of (1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide?
The InChIKey is OYRAAGJEBRMKQS-SDQBBNPISA-N. The full InChI is InChI=1S/C8H10N4O3/c1-15-12-6(4-9)7(13)11-8(14)10-5-2-3-5/h5H,2-3H2,1H3,(H2,10,11,13,14)/b12-6-.
What are the key properties of (1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide?
(1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide has a molecular weight of 210.19 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 88846142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).