3-propan-2-yliminopropanamide

C6H12N2O — CID 91185251

IUPAC3-propan-2-yliminopropanamide
SMILESCC(C)/N=C/CC(N)=O
InChIInChI=1S/C6H12N2O/c1-5(2)8-4-3-6(7)9/h4-5H,3H2,1-2H3,(H2,7,9)/b8-4+
InChIKeyYYMLLVPQLHIXHD-XBXARRHUSA-N
MW128.17 g/mol
LogP0.34
Rot. Bonds3

About 3-propan-2-yliminopropanamide

3-propan-2-yliminopropanamide (PubChem CID 91185251) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-propan-2-yliminopropanamide.

Molecular Properties

Compound Name3-propan-2-yliminopropanamide
PubChem CID91185251
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name3-propan-2-yliminopropanamide
SMILESCC(C)/N=C/CC(N)=O
InChIInChI=1S/C6H12N2O/c1-5(2)8-4-3-6(7)9/h4-5H,3H2,1-2H3,(H2,7,9)/b8-4+
InChIKeyYYMLLVPQLHIXHD-XBXARRHUSA-N
XLogP0.34
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-propan-2-yliminopropanamide?
The IUPAC name of 3-propan-2-yliminopropanamide (CID 91185251) is 3-propan-2-yliminopropanamide.
What is the SMILES notation for 3-propan-2-yliminopropanamide?
The canonical SMILES for 3-propan-2-yliminopropanamide is CC(C)/N=C/CC(N)=O.
What is the InChIKey of 3-propan-2-yliminopropanamide?
The InChIKey is YYMLLVPQLHIXHD-XBXARRHUSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(2)8-4-3-6(7)9/h4-5H,3H2,1-2H3,(H2,7,9)/b8-4+.
What are the key properties of 3-propan-2-yliminopropanamide?
3-propan-2-yliminopropanamide has a molecular weight of 128.17 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yliminopropanamide is sourced from PubChem (CID 91185251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).