spiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]

C12H17NO — CID 143635779

IUPACspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]
SMILESC1=CC2COC3(CCNCC3)C2C=C1
InChIInChI=1S/C12H17NO/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,10-11,13H,5-9H2
InChIKeyJPDIBOBJSIWTLB-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.50
Rot. Bonds

About spiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]

spiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] (PubChem CID 143635779) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is spiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Namespiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]
PubChem CID143635779
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Namespiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]
SMILESC1=CC2COC3(CCNCC3)C2C=C1
InChIInChI=1S/C12H17NO/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,10-11,13H,5-9H2
InChIKeyJPDIBOBJSIWTLB-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze spiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] with MolForge

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Related Compounds

5-fluorospiro[3a,6-dihydro-1H-2-benzofuran-3,4'-piperidine]
CID 69574770
4-fluoro-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]
CID 70810475
spiro[3aH-2-benzofuran-3,4'-piperidine]
CID 15390682
spiro[3a,6-dihydro-1H-2-benzofuran-3,4'-piperidine]
CID 69871499
1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]
CID 130310608
Spiro[1,7-dihydrocyclohepta[c]furan-3,4'-piperidine]
CID 137428981
(3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane;ethane
CID 143423152
spiro[3a,4-dihydro-2H-1-benzofuran-3,4'-piperidine]
CID 172575182
3-Cyclohexa-1,3-dien-1-yl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 173075838
4-(1-Cyclohexa-1,5-dien-1-yl-3-methoxypropyl)piperidine
CID 173196032
(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine
CID 143093705
(3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane
CID 143423153

Frequently Asked Questions

What is the IUPAC name of spiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of spiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] (CID 143635779) is spiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for spiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for spiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] is C1=CC2COC3(CCNCC3)C2C=C1.
What is the InChIKey of spiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is JPDIBOBJSIWTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,10-11,13H,5-9H2.
What are the key properties of spiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]?
spiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 191.27 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 143635779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).