1,3-diethylpyrrolidin-3-ol

C8H17NO — CID 67586028

IUPAC1,3-diethylpyrrolidin-3-ol
SMILESCCN1CCC(O)(CC)C1
InChIInChI=1S/C8H17NO/c1-3-8(10)5-6-9(4-2)7-8/h10H,3-7H2,1-2H3
InChIKeyYJXOLWHRAIMNFC-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.85
Rot. Bonds2

About 1,3-diethylpyrrolidin-3-ol

1,3-diethylpyrrolidin-3-ol (PubChem CID 67586028) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1,3-diethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1,3-diethylpyrrolidin-3-ol
PubChem CID67586028
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1,3-diethylpyrrolidin-3-ol
SMILESCCN1CCC(O)(CC)C1
InChIInChI=1S/C8H17NO/c1-3-8(10)5-6-9(4-2)7-8/h10H,3-7H2,1-2H3
InChIKeyYJXOLWHRAIMNFC-UHFFFAOYSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-ethyl-1-methylpyrrolidin-3-ol
CID 166166966
4-ethyl-1-propylpiperidin-4-ol
CID 60895499
3-(aminomethyl)-1-ethylpiperidin-3-ol
CID 83914177
1-ethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
CID 130642342
(3S)-3-ethyl-1-methylpiperidin-3-ol
CID 177186761
ethane;1-ethyl-3-(methoxymethyl)piperidin-3-ol
CID 172575983
4-decyl-1-ethylpiperidin-4-ol
CID 65146691
4-but-3-ynyl-1-ethylpiperidin-4-ol
CID 63656680
1-ethyl-4-(3-methylbutyl)piperidin-4-ol
CID 65146637
6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene
CID 121460088
3-(1-ethyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66323197
ethane;4-ethyl-1-(2-methoxyethyl)piperidin-4-ol
CID 170581594

Frequently Asked Questions

What is the IUPAC name of 1,3-diethylpyrrolidin-3-ol?
The IUPAC name of 1,3-diethylpyrrolidin-3-ol (CID 67586028) is 1,3-diethylpyrrolidin-3-ol.
What is the SMILES notation for 1,3-diethylpyrrolidin-3-ol?
The canonical SMILES for 1,3-diethylpyrrolidin-3-ol is CCN1CCC(O)(CC)C1.
What is the InChIKey of 1,3-diethylpyrrolidin-3-ol?
The InChIKey is YJXOLWHRAIMNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-8(10)5-6-9(4-2)7-8/h10H,3-7H2,1-2H3.
What are the key properties of 1,3-diethylpyrrolidin-3-ol?
1,3-diethylpyrrolidin-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylpyrrolidin-3-ol is sourced from PubChem (CID 67586028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).