3-(2-propoxyethyl)pyrrolidine

C9H19NO — CID 114796170

IUPAC3-(2-propoxyethyl)pyrrolidine
SMILESCCCOCCC1CCNC1
InChIInChI=1S/C9H19NO/c1-2-6-11-7-4-9-3-5-10-8-9/h9-10H,2-8H2,1H3
InChIKeyDSIQPIOEZDILQU-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds5

About 3-(2-propoxyethyl)pyrrolidine

3-(2-propoxyethyl)pyrrolidine (PubChem CID 114796170) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-(2-propoxyethyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-propoxyethyl)pyrrolidine
PubChem CID114796170
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-(2-propoxyethyl)pyrrolidine
SMILESCCCOCCC1CCNC1
InChIInChI=1S/C9H19NO/c1-2-6-11-7-4-9-3-5-10-8-9/h9-10H,2-8H2,1H3
InChIKeyDSIQPIOEZDILQU-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-heptoxyethyl)pyrrolidine
CID 114795978
3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride
CID 56830022
(3R)-3-[2-(2-methoxyethoxy)ethyl]pyrrolidine
CID 86324088
(3S)-3-(2-propoxyethoxymethyl)pyrrolidine
CID 86320893
3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine
CID 114796226
3-[2-(2-butoxyethoxy)ethyl]piperidine
CID 62357528
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]azepane
CID 104680798
N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide
CID 82941656
1-(2-pyrrolidin-3-ylethoxy)propan-2-ol
CID 106939109
3-[2-(2-ethoxyethoxy)ethyl]piperidine;hydrochloride
CID 56829882
methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
CID 106940991
3-(2-pyrrolidin-3-ylethoxy)propanamide
CID 114795988

Frequently Asked Questions

What is the IUPAC name of 3-(2-propoxyethyl)pyrrolidine?
The IUPAC name of 3-(2-propoxyethyl)pyrrolidine (CID 114796170) is 3-(2-propoxyethyl)pyrrolidine.
What is the SMILES notation for 3-(2-propoxyethyl)pyrrolidine?
The canonical SMILES for 3-(2-propoxyethyl)pyrrolidine is CCCOCCC1CCNC1.
What is the InChIKey of 3-(2-propoxyethyl)pyrrolidine?
The InChIKey is DSIQPIOEZDILQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-6-11-7-4-9-3-5-10-8-9/h9-10H,2-8H2,1H3.
What are the key properties of 3-(2-propoxyethyl)pyrrolidine?
3-(2-propoxyethyl)pyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propoxyethyl)pyrrolidine is sourced from PubChem (CID 114796170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).