tert-butyl formate;pyridine;pyrrolidine

C14H24N2O2 — CID 175607209

IUPACtert-butyl formate;pyridine;pyrrolidine
SMILESC1CCNC1.CC(C)(C)OC=O.c1ccncc1
InChIInChI=1S/C5H5N.C5H10O2.C4H9N/c1-2-4-6-5-3-1;1-5(2,3)7-4-6;1-2-4-5-3-1/h1-5H;4H,1-3H3;5H,1-4H2
InChIKeyFSIPQABYPIXSQI-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.41
Rot. Bonds1

About tert-butyl formate;pyridine;pyrrolidine

tert-butyl formate;pyridine;pyrrolidine (PubChem CID 175607209) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is tert-butyl formate;pyridine;pyrrolidine.

Molecular Properties

Compound Nametert-butyl formate;pyridine;pyrrolidine
PubChem CID175607209
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nametert-butyl formate;pyridine;pyrrolidine
SMILESC1CCNC1.CC(C)(C)OC=O.c1ccncc1
InChIInChI=1S/C5H5N.C5H10O2.C4H9N/c1-2-4-6-5-3-1;1-5(2,3)7-4-6;1-2-4-5-3-1/h1-5H;4H,1-3H3;5H,1-4H2
InChIKeyFSIPQABYPIXSQI-UHFFFAOYSA-N
XLogP2.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl formate;piperazine
CID 159581918
tert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone
CID 175290521
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CID 174978332
benzene;tert-butyl formate;hydrobromide;dihydrofluoride
CID 175237479
pyridine;1,4,8,11-tetrazacyclotetradecane
CID 67576088
tert-butyl formate;cyclononane
CID 174460222
tert-butyl formate;piperidin-3-yl(pyridin-2-yl)methanone
CID 174588553
tert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone
CID 175327380
azepan-3-one;tert-butyl formate
CID 158044992
tert-butyl formate;1H-pyrazole
CID 158639113
ethyl formate;oxalic acid;piperazine;pyridine
CID 174896599
tert-butyl formate;4,4-difluoropiperidine
CID 174784442

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;pyridine;pyrrolidine?
The IUPAC name of tert-butyl formate;pyridine;pyrrolidine (CID 175607209) is tert-butyl formate;pyridine;pyrrolidine.
What is the SMILES notation for tert-butyl formate;pyridine;pyrrolidine?
The canonical SMILES for tert-butyl formate;pyridine;pyrrolidine is C1CCNC1.CC(C)(C)OC=O.c1ccncc1.
What is the InChIKey of tert-butyl formate;pyridine;pyrrolidine?
The InChIKey is FSIPQABYPIXSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C5H10O2.C4H9N/c1-2-4-6-5-3-1;1-5(2,3)7-4-6;1-2-4-5-3-1/h1-5H;4H,1-3H3;5H,1-4H2.
What are the key properties of tert-butyl formate;pyridine;pyrrolidine?
tert-butyl formate;pyridine;pyrrolidine has a molecular weight of 252.36 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;pyridine;pyrrolidine is sourced from PubChem (CID 175607209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).