[1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol

C11H22N2O — CID 117005885

IUPAC[1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol
SMILESCCN1CCC(N2CCC(CO)C2)C1
InChIInChI=1S/C11H22N2O/c1-2-12-5-4-11(8-12)13-6-3-10(7-13)9-14/h10-11,14H,2-9H2,1H3
InChIKeyJBPNEGXZAUPUPE-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.39
Rot. Bonds3

About [1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol

[1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol (PubChem CID 117005885) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is [1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol
PubChem CID117005885
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name[1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol
SMILESCCN1CCC(N2CCC(CO)C2)C1
InChIInChI=1S/C11H22N2O/c1-2-12-5-4-11(8-12)13-6-3-10(7-13)9-14/h10-11,14H,2-9H2,1H3
InChIKeyJBPNEGXZAUPUPE-UHFFFAOYSA-N
XLogP0.39
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol (CID 117005885) is [1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol is CCN1CCC(N2CCC(CO)C2)C1.
What is the InChIKey of [1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol?
The InChIKey is JBPNEGXZAUPUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-12-5-4-11(8-12)13-6-3-10(7-13)9-14/h10-11,14H,2-9H2,1H3.
What are the key properties of [1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol?
[1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol has a molecular weight of 198.31 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117005885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).