4-[3-(hydroxyamino)propyl]-5-methylpyrrolidin-3-ol

C8H18N2O2 — CID 139497885

IUPAC4-[3-(hydroxyamino)propyl]-5-methylpyrrolidin-3-ol
SMILESCC1NCC(O)C1CCCNO
InChIInChI=1S/C8H18N2O2/c1-6-7(3-2-4-10-12)8(11)5-9-6/h6-12H,2-5H2,1H3
InChIKeyMDGJIYODRBJTMU-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.29
Rot. Bonds4

About 4-[3-(hydroxyamino)propyl]-5-methylpyrrolidin-3-ol

4-[3-(hydroxyamino)propyl]-5-methylpyrrolidin-3-ol (PubChem CID 139497885) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-[3-(hydroxyamino)propyl]-5-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-[3-(hydroxyamino)propyl]-5-methylpyrrolidin-3-ol
PubChem CID139497885
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name4-[3-(hydroxyamino)propyl]-5-methylpyrrolidin-3-ol
SMILESCC1NCC(O)C1CCCNO
InChIInChI=1S/C8H18N2O2/c1-6-7(3-2-4-10-12)8(11)5-9-6/h6-12H,2-5H2,1H3
InChIKeyMDGJIYODRBJTMU-UHFFFAOYSA-N
XLogP-0.29
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxyamino)propyl]-5-methylpyrrolidin-3-ol?
The IUPAC name of 4-[3-(hydroxyamino)propyl]-5-methylpyrrolidin-3-ol (CID 139497885) is 4-[3-(hydroxyamino)propyl]-5-methylpyrrolidin-3-ol.
What is the SMILES notation for 4-[3-(hydroxyamino)propyl]-5-methylpyrrolidin-3-ol?
The canonical SMILES for 4-[3-(hydroxyamino)propyl]-5-methylpyrrolidin-3-ol is CC1NCC(O)C1CCCNO.
What is the InChIKey of 4-[3-(hydroxyamino)propyl]-5-methylpyrrolidin-3-ol?
The InChIKey is MDGJIYODRBJTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6-7(3-2-4-10-12)8(11)5-9-6/h6-12H,2-5H2,1H3.
What are the key properties of 4-[3-(hydroxyamino)propyl]-5-methylpyrrolidin-3-ol?
4-[3-(hydroxyamino)propyl]-5-methylpyrrolidin-3-ol has a molecular weight of 174.24 g/mol, XLogP of -0.29, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxyamino)propyl]-5-methylpyrrolidin-3-ol is sourced from PubChem (CID 139497885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).