N-(3-aminobut-3-enyl)acetamide

C6H12N2O — CID 174300399

IUPACN-(3-aminobut-3-enyl)acetamide
SMILESC=C(N)CCNC(C)=O
InChIInChI=1S/C6H12N2O/c1-5(7)3-4-8-6(2)9/h1,3-4,7H2,2H3,(H,8,9)
InChIKeyRBOZJGSGSZZOPW-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.01
Rot. Bonds3

About N-(3-aminobut-3-enyl)acetamide

N-(3-aminobut-3-enyl)acetamide (PubChem CID 174300399) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-(3-aminobut-3-enyl)acetamide.

Molecular Properties

Compound NameN-(3-aminobut-3-enyl)acetamide
PubChem CID174300399
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-(3-aminobut-3-enyl)acetamide
SMILESC=C(N)CCNC(C)=O
InChIInChI=1S/C6H12N2O/c1-5(7)3-4-8-6(2)9/h1,3-4,7H2,2H3,(H,8,9)
InChIKeyRBOZJGSGSZZOPW-UHFFFAOYSA-N
XLogP-0.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobut-3-enyl)acetamide?
The IUPAC name of N-(3-aminobut-3-enyl)acetamide (CID 174300399) is N-(3-aminobut-3-enyl)acetamide.
What is the SMILES notation for N-(3-aminobut-3-enyl)acetamide?
The canonical SMILES for N-(3-aminobut-3-enyl)acetamide is C=C(N)CCNC(C)=O.
What is the InChIKey of N-(3-aminobut-3-enyl)acetamide?
The InChIKey is RBOZJGSGSZZOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(7)3-4-8-6(2)9/h1,3-4,7H2,2H3,(H,8,9).
What are the key properties of N-(3-aminobut-3-enyl)acetamide?
N-(3-aminobut-3-enyl)acetamide has a molecular weight of 128.17 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobut-3-enyl)acetamide is sourced from PubChem (CID 174300399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).