4-aminooxocan-3-ol

C7H15NO2 — CID 20775089

IUPAC4-aminooxocan-3-ol
SMILESNC1CCCCOCC1O
InChIInChI=1S/C7H15NO2/c8-6-3-1-2-4-10-5-7(6)9/h6-7,9H,1-5,8H2
InChIKeyOGMLGYKPZSKFRD-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.12
Rot. Bonds

About 4-aminooxocan-3-ol

4-aminooxocan-3-ol (PubChem CID 20775089) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-aminooxocan-3-ol.

Molecular Properties

Compound Name4-aminooxocan-3-ol
PubChem CID20775089
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-aminooxocan-3-ol
SMILESNC1CCCCOCC1O
InChIInChI=1S/C7H15NO2/c8-6-3-1-2-4-10-5-7(6)9/h6-7,9H,1-5,8H2
InChIKeyOGMLGYKPZSKFRD-UHFFFAOYSA-N
XLogP-0.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminooxocan-3-ol?
The IUPAC name of 4-aminooxocan-3-ol (CID 20775089) is 4-aminooxocan-3-ol.
What is the SMILES notation for 4-aminooxocan-3-ol?
The canonical SMILES for 4-aminooxocan-3-ol is NC1CCCCOCC1O.
What is the InChIKey of 4-aminooxocan-3-ol?
The InChIKey is OGMLGYKPZSKFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c8-6-3-1-2-4-10-5-7(6)9/h6-7,9H,1-5,8H2.
What are the key properties of 4-aminooxocan-3-ol?
4-aminooxocan-3-ol has a molecular weight of 145.20 g/mol, XLogP of -0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminooxocan-3-ol is sourced from PubChem (CID 20775089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).