N-(3-aminopropyl)but-3-enamide

C7H14N2O — CID 62678912

IUPACN-(3-aminopropyl)but-3-enamide
SMILESC=CCC(=O)NCCCN
InChIInChI=1S/C7H14N2O/c1-2-4-7(10)9-6-3-5-8/h2H,1,3-6,8H2,(H,9,10)
InChIKeyVYGFSERCIWLMAJ-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.03
Rot. Bonds5

About N-(3-aminopropyl)but-3-enamide

N-(3-aminopropyl)but-3-enamide (PubChem CID 62678912) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-(3-aminopropyl)but-3-enamide.

Molecular Properties

Compound NameN-(3-aminopropyl)but-3-enamide
PubChem CID62678912
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-(3-aminopropyl)but-3-enamide
SMILESC=CCC(=O)NCCCN
InChIInChI=1S/C7H14N2O/c1-2-4-7(10)9-6-3-5-8/h2H,1,3-6,8H2,(H,9,10)
InChIKeyVYGFSERCIWLMAJ-UHFFFAOYSA-N
XLogP0.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)but-3-enamide?
The IUPAC name of N-(3-aminopropyl)but-3-enamide (CID 62678912) is N-(3-aminopropyl)but-3-enamide.
What is the SMILES notation for N-(3-aminopropyl)but-3-enamide?
The canonical SMILES for N-(3-aminopropyl)but-3-enamide is C=CCC(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)but-3-enamide?
The InChIKey is VYGFSERCIWLMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-4-7(10)9-6-3-5-8/h2H,1,3-6,8H2,(H,9,10).
What are the key properties of N-(3-aminopropyl)but-3-enamide?
N-(3-aminopropyl)but-3-enamide has a molecular weight of 142.20 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)but-3-enamide is sourced from PubChem (CID 62678912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).