4-(1-hydroxypropylimino)pentan-2-one

C8H15NO2 — CID 131228578

IUPAC4-(1-hydroxypropylimino)pentan-2-one
SMILESCCC(O)N=C(C)CC(C)=O
InChIInChI=1S/C8H15NO2/c1-4-8(11)9-6(2)5-7(3)10/h8,11H,4-5H2,1-3H3
InChIKeyKLXUNRXJLCTJRX-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.15
Rot. Bonds4

About 4-(1-hydroxypropylimino)pentan-2-one

4-(1-hydroxypropylimino)pentan-2-one (PubChem CID 131228578) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-(1-hydroxypropylimino)pentan-2-one.

Molecular Properties

Compound Name4-(1-hydroxypropylimino)pentan-2-one
PubChem CID131228578
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-(1-hydroxypropylimino)pentan-2-one
SMILESCCC(O)N=C(C)CC(C)=O
InChIInChI=1S/C8H15NO2/c1-4-8(11)9-6(2)5-7(3)10/h8,11H,4-5H2,1-3H3
InChIKeyKLXUNRXJLCTJRX-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
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-(1-hydroxypropylimino)pentan-2-one?
The IUPAC name of 4-(1-hydroxypropylimino)pentan-2-one (CID 131228578) is 4-(1-hydroxypropylimino)pentan-2-one.
What is the SMILES notation for 4-(1-hydroxypropylimino)pentan-2-one?
The canonical SMILES for 4-(1-hydroxypropylimino)pentan-2-one is CCC(O)N=C(C)CC(C)=O.
What is the InChIKey of 4-(1-hydroxypropylimino)pentan-2-one?
The InChIKey is KLXUNRXJLCTJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-8(11)9-6(2)5-7(3)10/h8,11H,4-5H2,1-3H3.
What are the key properties of 4-(1-hydroxypropylimino)pentan-2-one?
4-(1-hydroxypropylimino)pentan-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypropylimino)pentan-2-one is sourced from PubChem (CID 131228578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).