N-(2-aminoprop-2-enyl)-2-(but-1-en-2-ylamino)acetamide

C9H17N3O — CID 126589654

IUPACN-(2-aminoprop-2-enyl)-2-(but-1-en-2-ylamino)acetamide
SMILESC=C(N)CNC(=O)CNC(=C)CC
InChIInChI=1S/C9H17N3O/c1-4-8(3)11-6-9(13)12-5-7(2)10/h11H,2-6,10H2,1H3,(H,12,13)
InChIKeyOBHAURCBTQKDHK-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.09
Rot. Bonds6

About N-(2-aminoprop-2-enyl)-2-(but-1-en-2-ylamino)acetamide

N-(2-aminoprop-2-enyl)-2-(but-1-en-2-ylamino)acetamide (PubChem CID 126589654) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(2-aminoprop-2-enyl)-2-(but-1-en-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-aminoprop-2-enyl)-2-(but-1-en-2-ylamino)acetamide
PubChem CID126589654
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(2-aminoprop-2-enyl)-2-(but-1-en-2-ylamino)acetamide
SMILESC=C(N)CNC(=O)CNC(=C)CC
InChIInChI=1S/C9H17N3O/c1-4-8(3)11-6-9(13)12-5-7(2)10/h11H,2-6,10H2,1H3,(H,12,13)
InChIKeyOBHAURCBTQKDHK-UHFFFAOYSA-N
XLogP0.09
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoprop-2-enyl)-2-(but-1-en-2-ylamino)acetamide?
The IUPAC name of N-(2-aminoprop-2-enyl)-2-(but-1-en-2-ylamino)acetamide (CID 126589654) is N-(2-aminoprop-2-enyl)-2-(but-1-en-2-ylamino)acetamide.
What is the SMILES notation for N-(2-aminoprop-2-enyl)-2-(but-1-en-2-ylamino)acetamide?
The canonical SMILES for N-(2-aminoprop-2-enyl)-2-(but-1-en-2-ylamino)acetamide is C=C(N)CNC(=O)CNC(=C)CC.
What is the InChIKey of N-(2-aminoprop-2-enyl)-2-(but-1-en-2-ylamino)acetamide?
The InChIKey is OBHAURCBTQKDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-8(3)11-6-9(13)12-5-7(2)10/h11H,2-6,10H2,1H3,(H,12,13).
What are the key properties of N-(2-aminoprop-2-enyl)-2-(but-1-en-2-ylamino)acetamide?
N-(2-aminoprop-2-enyl)-2-(but-1-en-2-ylamino)acetamide has a molecular weight of 183.25 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoprop-2-enyl)-2-(but-1-en-2-ylamino)acetamide is sourced from PubChem (CID 126589654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).