1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol

C11H23NO2 — CID 66758977

IUPAC1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol
SMILESCCCCOCC(C)(O)[C@@H]1CCNC1
InChIInChI=1S/C11H23NO2/c1-3-4-7-14-9-11(2,13)10-5-6-12-8-10/h10,12-13H,3-9H2,1-2H3/t10-,11?/m1/s1
InChIKeyGJIDIPFHFHHJKE-NFJWQWPMSA-N
MW201.31 g/mol
LogP1.16
Rot. Bonds6

About 1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol

1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol (PubChem CID 66758977) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol
PubChem CID66758977
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol
SMILESCCCCOCC(C)(O)[C@@H]1CCNC1
InChIInChI=1S/C11H23NO2/c1-3-4-7-14-9-11(2,13)10-5-6-12-8-10/h10,12-13H,3-9H2,1-2H3/t10-,11?/m1/s1
InChIKeyGJIDIPFHFHHJKE-NFJWQWPMSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pyrrolidin-3-ylbutan-2-ol
CID 105428542
butyl 2-methyl-2-pyrrolidin-3-ylpropanoate
CID 11564749
2-piperidin-3-yloctan-2-ol
CID 65146111
2-piperidin-3-ylpentan-2-ol
CID 63586269
3-(2-methylheptan-2-yl)pyrrolidine
CID 139502538
3-(5-methyldecan-5-yl)pyrrolidine
CID 139342176
2-piperidin-3-ylbutan-2-ol
CID 63586087
2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane
CID 160675736
(2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol
CID 171842996
1,6-bis(2-butoxyethoxy)-3,4-bis[2-(2-butoxyethoxy)ethyl]hexane-3,4-diol
CID 157473133
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine
CID 104565137
5,5-dimethyl-2-piperidin-3-ylhexan-2-ol
CID 65146059

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol (CID 66758977) is 1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol is CCCCOCC(C)(O)[C@@H]1CCNC1.
What is the InChIKey of 1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol?
The InChIKey is GJIDIPFHFHHJKE-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-4-7-14-9-11(2,13)10-5-6-12-8-10/h10,12-13H,3-9H2,1-2H3/t10-,11?/m1/s1.
What are the key properties of 1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol?
1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 66758977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).