spiro[1,7-dihydrocyclohepta[c]furan-3,4'-piperidine]

C13H17NO — CID 137428981

IUPACspiro[1,7-dihydrocyclohepta[c]furan-3,4'-piperidine]
SMILESC1=CCC=C2COC3(CCNCC3)C2=C1
InChIInChI=1S/C13H17NO/c1-2-4-11-10-15-13(12(11)5-3-1)6-8-14-9-7-13/h1,3-5,14H,2,6-10H2
InChIKeyQCAOSEBJLGYTBW-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.95
Rot. Bonds

About spiro[1,7-dihydrocyclohepta[c]furan-3,4'-piperidine]

spiro[1,7-dihydrocyclohepta[c]furan-3,4'-piperidine] (PubChem CID 137428981) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is spiro[1,7-dihydrocyclohepta[c]furan-3,4'-piperidine].

Molecular Properties

Compound Namespiro[1,7-dihydrocyclohepta[c]furan-3,4'-piperidine]
PubChem CID137428981
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Namespiro[1,7-dihydrocyclohepta[c]furan-3,4'-piperidine]
SMILESC1=CCC=C2COC3(CCNCC3)C2=C1
InChIInChI=1S/C13H17NO/c1-2-4-11-10-15-13(12(11)5-3-1)6-8-14-9-7-13/h1,3-5,14H,2,6-10H2
InChIKeyQCAOSEBJLGYTBW-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluorospiro[3a,6-dihydro-1H-2-benzofuran-3,4'-piperidine]
CID 69574770
1,5-dihydrospiro[4H-2-benzopyran-1,4'-piperidine]
CID 21268197
spiro[7aH-1-benzofuran-2,4'-azepane]
CID 67127825
spiro[3a,6-dihydro-1H-2-benzofuran-3,4'-piperidine]
CID 69871499
Spiro[3,4,5,6-tetrahydroisochromene-1,4'-piperidine]
CID 70219054
8-Methyl-3-methylidene-4-pentylidene-1-oxa-8-azaspiro[4.5]decane
CID 137428847
(4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
CID 137428979
(4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane
CID 137428982
6,6-dimethylspiro[1H-cyclohepta[c]furan-3,4'-piperidine]
CID 142054642
(3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane;ethane
CID 143423152
spiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]
CID 143635779
(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-1-oxa-8-azaspiro[4.5]decane
CID 144053584

Frequently Asked Questions

What is the IUPAC name of spiro[1,7-dihydrocyclohepta[c]furan-3,4'-piperidine]?
The IUPAC name of spiro[1,7-dihydrocyclohepta[c]furan-3,4'-piperidine] (CID 137428981) is spiro[1,7-dihydrocyclohepta[c]furan-3,4'-piperidine].
What is the SMILES notation for spiro[1,7-dihydrocyclohepta[c]furan-3,4'-piperidine]?
The canonical SMILES for spiro[1,7-dihydrocyclohepta[c]furan-3,4'-piperidine] is C1=CCC=C2COC3(CCNCC3)C2=C1.
What is the InChIKey of spiro[1,7-dihydrocyclohepta[c]furan-3,4'-piperidine]?
The InChIKey is QCAOSEBJLGYTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-4-11-10-15-13(12(11)5-3-1)6-8-14-9-7-13/h1,3-5,14H,2,6-10H2.
What are the key properties of spiro[1,7-dihydrocyclohepta[c]furan-3,4'-piperidine]?
spiro[1,7-dihydrocyclohepta[c]furan-3,4'-piperidine] has a molecular weight of 203.28 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,7-dihydrocyclohepta[c]furan-3,4'-piperidine] is sourced from PubChem (CID 137428981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).