(3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

C14H26N2O2 — CID 63141995

IUPAC(3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCCC1(C(=O)N2CCCC2CCCO)CCNC1
InChIInChI=1S/C14H26N2O2/c1-2-14(7-8-15-11-14)13(18)16-9-3-5-12(16)6-4-10-17/h12,15,17H,2-11H2,1H3
InChIKeyYPUMPKRHITUQGM-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.14
Rot. Bonds5

About (3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

(3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (PubChem CID 63141995) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
PubChem CID63141995
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCCC1(C(=O)N2CCCC2CCCO)CCNC1
InChIInChI=1S/C14H26N2O2/c1-2-14(7-8-15-11-14)13(18)16-9-3-5-12(16)6-4-10-17/h12,15,17H,2-11H2,1H3
InChIKeyYPUMPKRHITUQGM-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 55164770
(3-ethylpiperidin-3-yl)-(2-propylpiperidin-1-yl)methanone
CID 83052876
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-ethylpyrrolidin-3-yl)methanone
CID 65320934
[1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62480619
3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 63129046
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088
3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 63142470
[2-(2-hydroxyethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 112748638
(3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780497
(2R)-1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78925392
(4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 65281182
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 107217784

Frequently Asked Questions

What is the IUPAC name of (3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (CID 63141995) is (3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is CCC1(C(=O)N2CCCC2CCCO)CCNC1.
What is the InChIKey of (3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The InChIKey is YPUMPKRHITUQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-14(7-8-15-11-14)13(18)16-9-3-5-12(16)6-4-10-17/h12,15,17H,2-11H2,1H3.
What are the key properties of (3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
(3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone has a molecular weight of 254.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63141995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).