tert-butyl formate;1-pyrrolidin-3-ylethanol

C11H23NO3 — CID 175295526

IUPACtert-butyl formate;1-pyrrolidin-3-ylethanol
SMILESCC(C)(C)OC=O.CC(O)C1CCNC1
InChIInChI=1S/C6H13NO.C5H10O2/c1-5(8)6-2-3-7-4-6;1-5(2,3)7-4-6/h5-8H,2-4H2,1H3;4H,1-3H3
InChIKeyBWCIASWJLWDYOB-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.93
Rot. Bonds2

About tert-butyl formate;1-pyrrolidin-3-ylethanol

tert-butyl formate;1-pyrrolidin-3-ylethanol (PubChem CID 175295526) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl formate;1-pyrrolidin-3-ylethanol.

Molecular Properties

Compound Nametert-butyl formate;1-pyrrolidin-3-ylethanol
PubChem CID175295526
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl formate;1-pyrrolidin-3-ylethanol
SMILESCC(C)(C)OC=O.CC(O)C1CCNC1
InChIInChI=1S/C6H13NO.C5H10O2/c1-5(8)6-2-3-7-4-6;1-5(2,3)7-4-6/h5-8H,2-4H2,1H3;4H,1-3H3
InChIKeyBWCIASWJLWDYOB-UHFFFAOYSA-N
XLogP0.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl formate;1-piperidin-4-ylethanamine
CID 174560840
tert-butyl formate;phenyl(piperidin-4-yl)methanol
CID 174757388
bis(tert-butyl formate);pyrrolidine-3-carboxamide
CID 175304917
tert-butyl formate;(3R)-piperidin-3-ol
CID 158926595
tert-butyl formate;1-piperidin-2-ylethanol
CID 174623735
tert-butyl formate;piperazine
CID 159581918
N-[(2-methylpropan-2-yl)oxy]-N-(1-pyrrolidin-3-ylethyl)formamide
CID 57307968
tert-butyl formate;pyrrolidine-3-carbohydrazide
CID 174810054
tert-butyl formate;(2S)-2-methylpiperazine
CID 158074462
acetic acid;tert-butyl formate;3-ethylpiperidin-4-amine
CID 159777318
tert-butyl formate;[(2S)-piperazin-2-yl]methanol
CID 159575377
5-bromoazepan-4-one;tert-butyl formate
CID 159951775

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;1-pyrrolidin-3-ylethanol?
The IUPAC name of tert-butyl formate;1-pyrrolidin-3-ylethanol (CID 175295526) is tert-butyl formate;1-pyrrolidin-3-ylethanol.
What is the SMILES notation for tert-butyl formate;1-pyrrolidin-3-ylethanol?
The canonical SMILES for tert-butyl formate;1-pyrrolidin-3-ylethanol is CC(C)(C)OC=O.CC(O)C1CCNC1.
What is the InChIKey of tert-butyl formate;1-pyrrolidin-3-ylethanol?
The InChIKey is BWCIASWJLWDYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C5H10O2/c1-5(8)6-2-3-7-4-6;1-5(2,3)7-4-6/h5-8H,2-4H2,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;1-pyrrolidin-3-ylethanol?
tert-butyl formate;1-pyrrolidin-3-ylethanol has a molecular weight of 217.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1-pyrrolidin-3-ylethanol is sourced from PubChem (CID 175295526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).