4-(3-methoxypropoxy)pyrrolidin-3-ol

C8H17NO3 — CID 63703164

IUPAC4-(3-methoxypropoxy)pyrrolidin-3-ol
SMILESCOCCCOC1CNCC1O
InChIInChI=1S/C8H17NO3/c1-11-3-2-4-12-8-6-9-5-7(8)10/h7-10H,2-6H2,1H3
InChIKeyCWEFUQHPIKQBNS-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.63
Rot. Bonds5

About 4-(3-methoxypropoxy)pyrrolidin-3-ol

4-(3-methoxypropoxy)pyrrolidin-3-ol (PubChem CID 63703164) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(3-methoxypropoxy)pyrrolidin-3-ol
PubChem CID63703164
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name4-(3-methoxypropoxy)pyrrolidin-3-ol
SMILESCOCCCOC1CNCC1O
InChIInChI=1S/C8H17NO3/c1-11-3-2-4-12-8-6-9-5-7(8)10/h7-10H,2-6H2,1H3
InChIKeyCWEFUQHPIKQBNS-UHFFFAOYSA-N
XLogP-0.63
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxy)pyrrolidin-3-ol?
The IUPAC name of 4-(3-methoxypropoxy)pyrrolidin-3-ol (CID 63703164) is 4-(3-methoxypropoxy)pyrrolidin-3-ol.
What is the SMILES notation for 4-(3-methoxypropoxy)pyrrolidin-3-ol?
The canonical SMILES for 4-(3-methoxypropoxy)pyrrolidin-3-ol is COCCCOC1CNCC1O.
What is the InChIKey of 4-(3-methoxypropoxy)pyrrolidin-3-ol?
The InChIKey is CWEFUQHPIKQBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-11-3-2-4-12-8-6-9-5-7(8)10/h7-10H,2-6H2,1H3.
What are the key properties of 4-(3-methoxypropoxy)pyrrolidin-3-ol?
4-(3-methoxypropoxy)pyrrolidin-3-ol has a molecular weight of 175.23 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropoxy)pyrrolidin-3-ol is sourced from PubChem (CID 63703164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).