4-(2-hydroxypropylimino)pentan-2-one

C8H15NO2 — CID 71357649

IUPAC4-(2-hydroxypropylimino)pentan-2-one
SMILESCC(=O)C/C(C)=N/CC(C)O
InChIInChI=1S/C8H15NO2/c1-6(4-7(2)10)9-5-8(3)11/h8,11H,4-5H2,1-3H3/b9-6+
InChIKeyTTWVFJCMROCKQR-RMKNXTFCSA-N
MW157.21 g/mol
LogP0.81
Rot. Bonds4

About 4-(2-hydroxypropylimino)pentan-2-one

4-(2-hydroxypropylimino)pentan-2-one (PubChem CID 71357649) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-(2-hydroxypropylimino)pentan-2-one.

Molecular Properties

Compound Name4-(2-hydroxypropylimino)pentan-2-one
PubChem CID71357649
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-(2-hydroxypropylimino)pentan-2-one
SMILESCC(=O)C/C(C)=N/CC(C)O
InChIInChI=1S/C8H15NO2/c1-6(4-7(2)10)9-5-8(3)11/h8,11H,4-5H2,1-3H3/b9-6+
InChIKeyTTWVFJCMROCKQR-RMKNXTFCSA-N
XLogP0.81
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(2-hydroxypropylimino)pentan-2-one?
The IUPAC name of 4-(2-hydroxypropylimino)pentan-2-one (CID 71357649) is 4-(2-hydroxypropylimino)pentan-2-one.
What is the SMILES notation for 4-(2-hydroxypropylimino)pentan-2-one?
The canonical SMILES for 4-(2-hydroxypropylimino)pentan-2-one is CC(=O)C/C(C)=N/CC(C)O.
What is the InChIKey of 4-(2-hydroxypropylimino)pentan-2-one?
The InChIKey is TTWVFJCMROCKQR-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(4-7(2)10)9-5-8(3)11/h8,11H,4-5H2,1-3H3/b9-6+.
What are the key properties of 4-(2-hydroxypropylimino)pentan-2-one?
4-(2-hydroxypropylimino)pentan-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropylimino)pentan-2-one is sourced from PubChem (CID 71357649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).