[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone

C14H26N2O3 — CID 114797463

IUPAC[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)N1CCC(CCO)C1
InChIInChI=1S/C14H26N2O3/c1-2-5-15-13-10-19-9-12(13)14(18)16-6-3-11(8-16)4-7-17/h11-13,15,17H,2-10H2,1H3
InChIKeyBJCXMGSBJVPSGE-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.23
Rot. Bonds6

About [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 114797463) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID114797463
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)N1CCC(CCO)C1
InChIInChI=1S/C14H26N2O3/c1-2-5-15-13-10-19-9-12(13)14(18)16-6-3-11(8-16)4-7-17/h11-13,15,17H,2-10H2,1H3
InChIKeyBJCXMGSBJVPSGE-UHFFFAOYSA-N
XLogP0.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone (CID 114797463) is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)N1CCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is BJCXMGSBJVPSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-5-15-13-10-19-9-12(13)14(18)16-6-3-11(8-16)4-7-17/h11-13,15,17H,2-10H2,1H3.
What are the key properties of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone?
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 270.37 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 114797463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).