5-azaspiro[2.4]heptan-6-yl formate;hydrochloride

C7H12ClNO2 — CID 175208835

IUPAC5-azaspiro[2.4]heptan-6-yl formate;hydrochloride
SMILESCl.O=COC1CC2(CC2)CN1
InChIInChI=1S/C7H11NO2.ClH/c9-5-10-6-3-7(1-2-7)4-8-6;/h5-6,8H,1-4H2;1H
InChIKeyYGUFNMIMHVSVKN-UHFFFAOYSA-N
MW177.63 g/mol
LogP0.68
Rot. Bonds2

About 5-azaspiro[2.4]heptan-6-yl formate;hydrochloride

5-azaspiro[2.4]heptan-6-yl formate;hydrochloride (PubChem CID 175208835) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 5-azaspiro[2.4]heptan-6-yl formate;hydrochloride.

Molecular Properties

Compound Name5-azaspiro[2.4]heptan-6-yl formate;hydrochloride
PubChem CID175208835
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name5-azaspiro[2.4]heptan-6-yl formate;hydrochloride
SMILESCl.O=COC1CC2(CC2)CN1
InChIInChI=1S/C7H11NO2.ClH/c9-5-10-6-3-7(1-2-7)4-8-6;/h5-6,8H,1-4H2;1H
InChIKeyYGUFNMIMHVSVKN-UHFFFAOYSA-N
XLogP0.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate
CID 118180473
2-[(7S)-6-azaspiro[3.4]octan-7-yl]acetaldehyde
CID 175908711
methyl 5-azaspiro[2.4]heptane-6-carboxylate
CID 77471720
8,11-dioxadispiro[3.2.47.24]tridecan-2-yl formate
CID 167108537
[(1R)-2,2-difluorocyclopropyl] formate
CID 174899794
1-(2-azaspiro[4.4]nonan-3-yl)ethanone
CID 20647146
(3S)-3-methyl-2-azaspiro[4.5]decane;hydrochloride
CID 154577147
6-propyl-5-azaspiro[2.4]heptane
CID 144802618
(6S)-N-[(ethenylamino)methyl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 134474781
6-methyl-5-azaspiro[2.5]octane;hydrochloride
CID 178127379
1-(5-azaspiro[2.4]heptan-6-yl)-N-methylmethanamine
CID 69087259
[(3S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl] formate;hydrochloride
CID 175250300

Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.4]heptan-6-yl formate;hydrochloride?
The IUPAC name of 5-azaspiro[2.4]heptan-6-yl formate;hydrochloride (CID 175208835) is 5-azaspiro[2.4]heptan-6-yl formate;hydrochloride.
What is the SMILES notation for 5-azaspiro[2.4]heptan-6-yl formate;hydrochloride?
The canonical SMILES for 5-azaspiro[2.4]heptan-6-yl formate;hydrochloride is Cl.O=COC1CC2(CC2)CN1.
What is the InChIKey of 5-azaspiro[2.4]heptan-6-yl formate;hydrochloride?
The InChIKey is YGUFNMIMHVSVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.ClH/c9-5-10-6-3-7(1-2-7)4-8-6;/h5-6,8H,1-4H2;1H.
What are the key properties of 5-azaspiro[2.4]heptan-6-yl formate;hydrochloride?
5-azaspiro[2.4]heptan-6-yl formate;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.4]heptan-6-yl formate;hydrochloride is sourced from PubChem (CID 175208835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).