2-pyrrolidin-3-ylbutan-2-ol

C8H17NO — CID 105428542

IUPAC2-pyrrolidin-3-ylbutan-2-ol
SMILESCCC(C)(O)C1CCNC1
InChIInChI=1S/C8H17NO/c1-3-8(2,10)7-4-5-9-6-7/h7,9-10H,3-6H2,1-2H3
InChIKeyYICCCRSNVANWOT-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds2

About 2-pyrrolidin-3-ylbutan-2-ol

2-pyrrolidin-3-ylbutan-2-ol (PubChem CID 105428542) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylbutan-2-ol.

Molecular Properties

Compound Name2-pyrrolidin-3-ylbutan-2-ol
PubChem CID105428542
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-pyrrolidin-3-ylbutan-2-ol
SMILESCCC(C)(O)C1CCNC1
InChIInChI=1S/C8H17NO/c1-3-8(2,10)7-4-5-9-6-7/h7,9-10H,3-6H2,1-2H3
InChIKeyYICCCRSNVANWOT-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-piperidin-3-ylbutan-2-ol
CID 63586087
2-piperidin-3-ylpentan-2-ol
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1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol
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2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane
CID 160675736
(2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol
CID 171842996
2-cyclohexylbutan-2-ol
CID 14023764
5,5-dimethyl-2-piperidin-3-ylhexan-2-ol
CID 65146059
2-piperidin-3-yloctan-2-ol
CID 65146111
4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol
CID 127016501
(1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol
CID 124705714
(3R)-3-(1,1-difluoroethyl)pyrrolidine
CID 154810011
3-(2-methylheptan-2-yl)pyrrolidine
CID 139502538

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylbutan-2-ol?
The IUPAC name of 2-pyrrolidin-3-ylbutan-2-ol (CID 105428542) is 2-pyrrolidin-3-ylbutan-2-ol.
What is the SMILES notation for 2-pyrrolidin-3-ylbutan-2-ol?
The canonical SMILES for 2-pyrrolidin-3-ylbutan-2-ol is CCC(C)(O)C1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-ylbutan-2-ol?
The InChIKey is YICCCRSNVANWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-8(2,10)7-4-5-9-6-7/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 2-pyrrolidin-3-ylbutan-2-ol?
2-pyrrolidin-3-ylbutan-2-ol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylbutan-2-ol is sourced from PubChem (CID 105428542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).