3-(2-pyrrolidin-3-ylethoxy)propanamide

C9H18N2O2 — CID 114795988

IUPAC3-(2-pyrrolidin-3-ylethoxy)propanamide
SMILESNC(=O)CCOCCC1CCNC1
InChIInChI=1S/C9H18N2O2/c10-9(12)3-6-13-5-2-8-1-4-11-7-8/h8,11H,1-7H2,(H2,10,12)
InChIKeyCTGBEUODLYQGAH-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.12
Rot. Bonds6

About 3-(2-pyrrolidin-3-ylethoxy)propanamide

3-(2-pyrrolidin-3-ylethoxy)propanamide (PubChem CID 114795988) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(2-pyrrolidin-3-ylethoxy)propanamide.

Molecular Properties

Compound Name3-(2-pyrrolidin-3-ylethoxy)propanamide
PubChem CID114795988
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-(2-pyrrolidin-3-ylethoxy)propanamide
SMILESNC(=O)CCOCCC1CCNC1
InChIInChI=1S/C9H18N2O2/c10-9(12)3-6-13-5-2-8-1-4-11-7-8/h8,11H,1-7H2,(H2,10,12)
InChIKeyCTGBEUODLYQGAH-UHFFFAOYSA-N
XLogP-0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3R)-pyrrolidin-3-yl]propanamide
CID 174976551
methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
CID 106940991
(3R)-3-[2-(2-methoxyethoxy)ethyl]pyrrolidine
CID 86324088
3-(2-propoxyethyl)pyrrolidine
CID 114796170
2-pyrrolidin-3-ylethyl N-methylcarbamate
CID 114796629
2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate
CID 174748022
3-(2-heptoxyethyl)pyrrolidine
CID 114795978
3-pyrrolidin-3-ylpropanoic acid
CID 12825648
1-(2-pyrrolidin-3-ylethoxy)propan-2-ol
CID 106939109
2-(2-piperidin-3-ylethoxy)ethanol
CID 104680589
3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine
CID 114796226
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-3-ylethoxy)propanamide?
The IUPAC name of 3-(2-pyrrolidin-3-ylethoxy)propanamide (CID 114795988) is 3-(2-pyrrolidin-3-ylethoxy)propanamide.
What is the SMILES notation for 3-(2-pyrrolidin-3-ylethoxy)propanamide?
The canonical SMILES for 3-(2-pyrrolidin-3-ylethoxy)propanamide is NC(=O)CCOCCC1CCNC1.
What is the InChIKey of 3-(2-pyrrolidin-3-ylethoxy)propanamide?
The InChIKey is CTGBEUODLYQGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-9(12)3-6-13-5-2-8-1-4-11-7-8/h8,11H,1-7H2,(H2,10,12).
What are the key properties of 3-(2-pyrrolidin-3-ylethoxy)propanamide?
3-(2-pyrrolidin-3-ylethoxy)propanamide has a molecular weight of 186.25 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-3-ylethoxy)propanamide is sourced from PubChem (CID 114795988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).