N-(3-iminopropyl)acetamide

C5H10N2O — CID 89441657

IUPACN-(3-iminopropyl)acetamide
SMILES[H]/N=C/CCNC(C)=O
InChIInChI=1S/C5H10N2O/c1-5(8)7-4-2-3-6/h3,6H,2,4H2,1H3,(H,7,8)/b6-3+
InChIKeyBYNHKZPLWLPQFK-ZZXKWVIFSA-N
MW114.15 g/mol
LogP0.16
Rot. Bonds3

About N-(3-iminopropyl)acetamide

N-(3-iminopropyl)acetamide (PubChem CID 89441657) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-(3-iminopropyl)acetamide.

Molecular Properties

Compound NameN-(3-iminopropyl)acetamide
PubChem CID89441657
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-(3-iminopropyl)acetamide
SMILES[H]/N=C/CCNC(C)=O
InChIInChI=1S/C5H10N2O/c1-5(8)7-4-2-3-6/h3,6H,2,4H2,1H3,(H,7,8)/b6-3+
InChIKeyBYNHKZPLWLPQFK-ZZXKWVIFSA-N
XLogP0.16
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-iminopropyl)acetamide?
The IUPAC name of N-(3-iminopropyl)acetamide (CID 89441657) is N-(3-iminopropyl)acetamide.
What is the SMILES notation for N-(3-iminopropyl)acetamide?
The canonical SMILES for N-(3-iminopropyl)acetamide is [H]/N=C/CCNC(C)=O.
What is the InChIKey of N-(3-iminopropyl)acetamide?
The InChIKey is BYNHKZPLWLPQFK-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H10N2O/c1-5(8)7-4-2-3-6/h3,6H,2,4H2,1H3,(H,7,8)/b6-3+.
What are the key properties of N-(3-iminopropyl)acetamide?
N-(3-iminopropyl)acetamide has a molecular weight of 114.15 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iminopropyl)acetamide is sourced from PubChem (CID 89441657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).