(2S,3S)-2,3-diethylpyrrolidin-3-ol

C8H17NO — CID 59273053

IUPAC(2S,3S)-2,3-diethylpyrrolidin-3-ol
SMILESCC[C@@H]1NCC[C@@]1(O)CC
InChIInChI=1S/C8H17NO/c1-3-7-8(10,4-2)5-6-9-7/h7,9-10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyVKGPQMWIHIWMIN-YUMQZZPRSA-N
MW143.23 g/mol
LogP0.90
Rot. Bonds2

About (2S,3S)-2,3-diethylpyrrolidin-3-ol

(2S,3S)-2,3-diethylpyrrolidin-3-ol (PubChem CID 59273053) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S,3S)-2,3-diethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-2,3-diethylpyrrolidin-3-ol
PubChem CID59273053
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S,3S)-2,3-diethylpyrrolidin-3-ol
SMILESCC[C@@H]1NCC[C@@]1(O)CC
InChIInChI=1S/C8H17NO/c1-3-7-8(10,4-2)5-6-9-7/h7,9-10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyVKGPQMWIHIWMIN-YUMQZZPRSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Pyrrolidin-2-yl)propan-2-ol
CID 12732176
2-(Pyrrolidin-2-yl)propan-2-ol--hydrogen chloride (1/1)
CID 21127410
3-Ethylpyrrolidin-3-ol
CID 57601815
3-Tert-butylpyrrolidin-3-ol hydrochloride
CID 66662240
2-((2R)-pyrrolidin-2-yl)propan-2-ol hydrochloride
CID 66970742
(S)-2-(pyrrolidin-2-yl)propan-2-ol
CID 12732179
(r)-2-(Pyrrolidin-2-yl)propan-2-ol
CID 12732175
3-Tert-butylpyrrolidin-3-ol
CID 55296408
5,5-Diethylpyrrolidin-3-ol
CID 90905621
(5R)-5-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 130184830
(5R)-3-(fluoromethyl)-5-methylpyrrolidin-3-ol
CID 178952528
Ctk0E4175
CID 11137387

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-diethylpyrrolidin-3-ol?
The IUPAC name of (2S,3S)-2,3-diethylpyrrolidin-3-ol (CID 59273053) is (2S,3S)-2,3-diethylpyrrolidin-3-ol.
What is the SMILES notation for (2S,3S)-2,3-diethylpyrrolidin-3-ol?
The canonical SMILES for (2S,3S)-2,3-diethylpyrrolidin-3-ol is CC[C@@H]1NCC[C@@]1(O)CC.
What is the InChIKey of (2S,3S)-2,3-diethylpyrrolidin-3-ol?
The InChIKey is VKGPQMWIHIWMIN-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-7-8(10,4-2)5-6-9-7/h7,9-10H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-2,3-diethylpyrrolidin-3-ol?
(2S,3S)-2,3-diethylpyrrolidin-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-diethylpyrrolidin-3-ol is sourced from PubChem (CID 59273053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).