2-[[2-(3-formamidoprop-1-en-2-ylamino)acetyl]amino]acetyl cyanide

C9H12N4O3 — CID 134362981

IUPAC2-[[2-(3-formamidoprop-1-en-2-ylamino)acetyl]amino]acetyl cyanide
SMILESC=C(CNC=O)NCC(=O)NCC(=O)C#N
InChIInChI=1S/C9H12N4O3/c1-7(3-11-6-14)12-5-9(16)13-4-8(15)2-10/h6,12H,1,3-5H2,(H,11,14)(H,13,16)
InChIKeyAYGXSKMWHQFXGN-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.96
Rot. Bonds8

About 2-[[2-(3-formamidoprop-1-en-2-ylamino)acetyl]amino]acetyl cyanide

2-[[2-(3-formamidoprop-1-en-2-ylamino)acetyl]amino]acetyl cyanide (PubChem CID 134362981) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-[[2-(3-formamidoprop-1-en-2-ylamino)acetyl]amino]acetyl cyanide.

Molecular Properties

Compound Name2-[[2-(3-formamidoprop-1-en-2-ylamino)acetyl]amino]acetyl cyanide
PubChem CID134362981
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name2-[[2-(3-formamidoprop-1-en-2-ylamino)acetyl]amino]acetyl cyanide
SMILESC=C(CNC=O)NCC(=O)NCC(=O)C#N
InChIInChI=1S/C9H12N4O3/c1-7(3-11-6-14)12-5-9(16)13-4-8(15)2-10/h6,12H,1,3-5H2,(H,11,14)(H,13,16)
InChIKeyAYGXSKMWHQFXGN-UHFFFAOYSA-N
XLogP-1.96
TPSA111.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_cyanide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-2-formamidoacetamide
CID 143975878
2-formamido-N-[2-(methoxymethylamino)-2-oxoethyl]acetamide
CID 170751982
ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen
CID 169185190
N-ethyl-2-formamidoacetamide
CID 14481878
N-(2-hydroxyprop-2-enyl)formamide
CID 87223348
N-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide
CID 58361834
N-(ethoxymethyl)-2-formamidoacetamide
CID 144895725
2-(3-aminoprop-1-en-2-ylamino)-N-[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]prop-2-enyl]acetamide
CID 144630094
2-formamido-N-[2-(methylamino)ethyl]acetamide
CID 144693506
2-formamidoacetic acid
CID 170552381
2-formamido-N-hex-5-ynylacetamide
CID 143163619
N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide;2-[[2-[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 176672107

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-formamidoprop-1-en-2-ylamino)acetyl]amino]acetyl cyanide?
The IUPAC name of 2-[[2-(3-formamidoprop-1-en-2-ylamino)acetyl]amino]acetyl cyanide (CID 134362981) is 2-[[2-(3-formamidoprop-1-en-2-ylamino)acetyl]amino]acetyl cyanide.
What is the SMILES notation for 2-[[2-(3-formamidoprop-1-en-2-ylamino)acetyl]amino]acetyl cyanide?
The canonical SMILES for 2-[[2-(3-formamidoprop-1-en-2-ylamino)acetyl]amino]acetyl cyanide is C=C(CNC=O)NCC(=O)NCC(=O)C#N.
What is the InChIKey of 2-[[2-(3-formamidoprop-1-en-2-ylamino)acetyl]amino]acetyl cyanide?
The InChIKey is AYGXSKMWHQFXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-7(3-11-6-14)12-5-9(16)13-4-8(15)2-10/h6,12H,1,3-5H2,(H,11,14)(H,13,16).
What are the key properties of 2-[[2-(3-formamidoprop-1-en-2-ylamino)acetyl]amino]acetyl cyanide?
2-[[2-(3-formamidoprop-1-en-2-ylamino)acetyl]amino]acetyl cyanide has a molecular weight of 224.22 g/mol, XLogP of -1.96, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-formamidoprop-1-en-2-ylamino)acetyl]amino]acetyl cyanide is sourced from PubChem (CID 134362981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).