3-(2-prop-2-enoxyethoxy)pyrrolidine;hydrochloride

C9H18ClNO2 — CID 53409513

IUPAC3-(2-prop-2-enoxyethoxy)pyrrolidine;hydrochloride
SMILESC=CCOCCOC1CCNC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-2-5-11-6-7-12-9-3-4-10-8-9;/h2,9-10H,1,3-8H2;1H
InChIKeyUTCPMXGIOVEKAQ-UHFFFAOYSA-N
MW207.70 g/mol
LogP0.99
Rot. Bonds6

About 3-(2-prop-2-enoxyethoxy)pyrrolidine;hydrochloride

3-(2-prop-2-enoxyethoxy)pyrrolidine;hydrochloride (PubChem CID 53409513) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 3-(2-prop-2-enoxyethoxy)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(2-prop-2-enoxyethoxy)pyrrolidine;hydrochloride
PubChem CID53409513
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name3-(2-prop-2-enoxyethoxy)pyrrolidine;hydrochloride
SMILESC=CCOCCOC1CCNC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-2-5-11-6-7-12-9-3-4-10-8-9;/h2,9-10H,1,3-8H2;1H
InChIKeyUTCPMXGIOVEKAQ-UHFFFAOYSA-N
XLogP0.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-prop-2-enoxyethoxy)pyrrolidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 45075459
CID 45075459
CID 132398761
CID 132398761
CID 26191822
CID 26191822
CID 168016825
CID 168016825
CID 22160876
CID 22160876
CID 26191819
CID 26191819
CID 45075460
CID 45075460
CID 66817259
CID 66817259
CID 66817260
CID 66817260
CID 118145883
CID 118145883
CID 123215135
CID 123215135
CID 123866298
CID 123866298

Frequently Asked Questions

What is the IUPAC name of 3-(2-prop-2-enoxyethoxy)pyrrolidine;hydrochloride?
The IUPAC name of 3-(2-prop-2-enoxyethoxy)pyrrolidine;hydrochloride (CID 53409513) is 3-(2-prop-2-enoxyethoxy)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(2-prop-2-enoxyethoxy)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(2-prop-2-enoxyethoxy)pyrrolidine;hydrochloride is C=CCOCCOC1CCNC1.Cl.
What is the InChIKey of 3-(2-prop-2-enoxyethoxy)pyrrolidine;hydrochloride?
The InChIKey is UTCPMXGIOVEKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-2-5-11-6-7-12-9-3-4-10-8-9;/h2,9-10H,1,3-8H2;1H.
What are the key properties of 3-(2-prop-2-enoxyethoxy)pyrrolidine;hydrochloride?
3-(2-prop-2-enoxyethoxy)pyrrolidine;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-prop-2-enoxyethoxy)pyrrolidine;hydrochloride is sourced from PubChem (CID 53409513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).