3-propyliminopropanamide

C6H12N2O — CID 90937400

IUPAC3-propyliminopropanamide
SMILESCCC/N=C/CC(N)=O
InChIInChI=1S/C6H12N2O/c1-2-4-8-5-3-6(7)9/h5H,2-4H2,1H3,(H2,7,9)/b8-5+
InChIKeyNNIDVPHAIXUNKC-VMPITWQZSA-N
MW128.17 g/mol
LogP0.34
Rot. Bonds4

About 3-propyliminopropanamide

3-propyliminopropanamide (PubChem CID 90937400) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-propyliminopropanamide.

Molecular Properties

Compound Name3-propyliminopropanamide
PubChem CID90937400
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name3-propyliminopropanamide
SMILESCCC/N=C/CC(N)=O
InChIInChI=1S/C6H12N2O/c1-2-4-8-5-3-6(7)9/h5H,2-4H2,1H3,(H2,7,9)/b8-5+
InChIKeyNNIDVPHAIXUNKC-VMPITWQZSA-N
XLogP0.34
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propyliminopropanamide?
The IUPAC name of 3-propyliminopropanamide (CID 90937400) is 3-propyliminopropanamide.
What is the SMILES notation for 3-propyliminopropanamide?
The canonical SMILES for 3-propyliminopropanamide is CCC/N=C/CC(N)=O.
What is the InChIKey of 3-propyliminopropanamide?
The InChIKey is NNIDVPHAIXUNKC-VMPITWQZSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-4-8-5-3-6(7)9/h5H,2-4H2,1H3,(H2,7,9)/b8-5+.
What are the key properties of 3-propyliminopropanamide?
3-propyliminopropanamide has a molecular weight of 128.17 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyliminopropanamide is sourced from PubChem (CID 90937400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).