1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]

C12H22N2O — CID 167994789

IUPAC1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]
SMILESCCN1CC2(CCNCC2)C2COCC21
InChIInChI=1S/C12H22N2O/c1-2-14-9-12(3-5-13-6-4-12)10-7-15-8-11(10)14/h10-11,13H,2-9H2,1H3
InChIKeyQNWZRINPYNRUFM-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.71
Rot. Bonds1

About 1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]

1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine] (PubChem CID 167994789) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine].

Molecular Properties

Compound Name1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]
PubChem CID167994789
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]
SMILESCCN1CC2(CCNCC2)C2COCC21
InChIInChI=1S/C12H22N2O/c1-2-14-9-12(3-5-13-6-4-12)10-7-15-8-11(10)14/h10-11,13H,2-9H2,1H3
InChIKeyQNWZRINPYNRUFM-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine] with MolForge

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Related Compounds

4-ethyl-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine
CID 170737886
(4R)-4-methyl-2-oxa-8-azaspiro[4.5]decane
CID 89206971
5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate
CID 174191568
1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine
CID 144812875
ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidin-4-ol
CID 178029584
trifluoro(3-oxa-9-azaspiro[5.5]undecan-5-ylmethyl)boranuide
CID 166072845
2-oxa-8-azaspiro[4.5]decane;propane
CID 143531697
2-ethyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 155830778
6-propyl-2-oxa-8-azaspiro[4.5]decane
CID 79321500
ethane;2-ethyl-1-oxa-7-azaspiro[3.5]nonane
CID 162765385
N-ethyl-N-methyl-6-azaspiro[2.5]octan-2-amine
CID 131086396
12-propan-2-yl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
CID 135332795

Frequently Asked Questions

What is the IUPAC name of 1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]?
The IUPAC name of 1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine] (CID 167994789) is 1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine].
What is the SMILES notation for 1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]?
The canonical SMILES for 1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine] is CCN1CC2(CCNCC2)C2COCC21.
What is the InChIKey of 1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]?
The InChIKey is QNWZRINPYNRUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-14-9-12(3-5-13-6-4-12)10-7-15-8-11(10)14/h10-11,13H,2-9H2,1H3.
What are the key properties of 1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]?
1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine] has a molecular weight of 210.32 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine] is sourced from PubChem (CID 167994789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).