2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide

C9H12N4O3 — CID 154103046

IUPAC2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
SMILESCON=C(C#N)C(=O)NC(=O)NCC1CC1
InChIInChI=1S/C9H12N4O3/c1-16-13-7(4-10)8(14)12-9(15)11-5-6-2-3-6/h6H,2-3,5H2,1H3,(H2,11,12,14,15)
InChIKeyWUIRJQNUUSLNIW-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.25
Rot. Bonds4

About 2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide

2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide (PubChem CID 154103046) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound Name2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
PubChem CID154103046
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
SMILESCON=C(C#N)C(=O)NC(=O)NCC1CC1
InChIInChI=1S/C9H12N4O3/c1-16-13-7(4-10)8(14)12-9(15)11-5-6-2-3-6/h6H,2-3,5H2,1H3,(H2,11,12,14,15)
InChIKeyWUIRJQNUUSLNIW-UHFFFAOYSA-N
XLogP-0.25
TPSA103.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.25
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'}

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Related Compounds

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
CID 5364079
(1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
CID 88846142
N-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide
CID 54155508
N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
CID 28566856
(1E)-N-methoxy-2-oxo-2-[(2E)-2-(2,2,2-trichloroethylidene)hydrazinyl]ethanimidoyl cyanide
CID 117063855
2,3-dimethyl-4-oxo-4-(thian-4-ylmethylcarbamoylamino)but-2-enoic acid
CID 104866087
2-chloro-N-[(4-methylcyclohexyl)methylcarbamoyl]acetamide
CID 63244328
2-(5-cyanopentylcarbamoylamino)-N-hexoxy-2-oxoethanimidoyl cyanide
CID 54044911
2-[[(2Z)-2-cyano-2-methoxyiminoacetyl]amino]-3-methylsulfonylpropanoic acid
CID 23274937
1-cyano-N-(cyclohexylmethyl)formamide
CID 115172259
N-(cyclopropylmethyl)-2-(methoxyamino)acetamide
CID 60721216
2,3-dimethyl-4-[(1-methylpiperidin-4-yl)methylcarbamoylamino]-4-oxobut-2-enoic acid
CID 76992288

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide?
The IUPAC name of 2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide (CID 154103046) is 2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide.
What is the SMILES notation for 2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide?
The canonical SMILES for 2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide is CON=C(C#N)C(=O)NC(=O)NCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide?
The InChIKey is WUIRJQNUUSLNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-16-13-7(4-10)8(14)12-9(15)11-5-6-2-3-6/h6H,2-3,5H2,1H3,(H2,11,12,14,15).
What are the key properties of 2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide?
2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide has a molecular weight of 224.22 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 154103046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).