spiro[3H-1-benzofuran-2,1'-cyclopentane]-3-carbaldehyde

C13H14O2 — CID 117046108

IUPACspiro[3H-1-benzofuran-2,1'-cyclopentane]-3-carbaldehyde
SMILESO=CC1c2ccccc2OC12CCCC2
InChIInChI=1S/C13H14O2/c14-9-11-10-5-1-2-6-12(10)15-13(11)7-3-4-8-13/h1-2,5-6,9,11H,3-4,7-8H2
InChIKeyHYOGEGBEVKBOPM-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.67
Rot. Bonds1

About spiro[3H-1-benzofuran-2,1'-cyclopentane]-3-carbaldehyde

spiro[3H-1-benzofuran-2,1'-cyclopentane]-3-carbaldehyde (PubChem CID 117046108) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is spiro[3H-1-benzofuran-2,1'-cyclopentane]-3-carbaldehyde.

Molecular Properties

Compound Namespiro[3H-1-benzofuran-2,1'-cyclopentane]-3-carbaldehyde
PubChem CID117046108
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Namespiro[3H-1-benzofuran-2,1'-cyclopentane]-3-carbaldehyde
SMILESO=CC1c2ccccc2OC12CCCC2
InChIInChI=1S/C13H14O2/c14-9-11-10-5-1-2-6-12(10)15-13(11)7-3-4-8-13/h1-2,5-6,9,11H,3-4,7-8H2
InChIKeyHYOGEGBEVKBOPM-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-4-aminospiro[3,4-dihydrochromene-2,1'-cyclobutane]-3-ol
CID 90169126
methyl (3S)-spiro[3H-1-benzofuran-2,1'-cyclohexane]-3-carboxylate
CID 135058831
(1R,9R,10R)-2-oxa-17-azatetracyclo[7.5.3.01,10.03,8]heptadeca-3,5,7-triene
CID 98159599
(1R,9S,10S)-2-oxa-17-azatetracyclo[7.5.3.01,10.03,8]heptadeca-3,5,7-triene
CID 7279011
[(4S)-spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-4-yl]methyl hydrogen sulfite
CID 134279625
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 95970213
(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 42129974
[(4S)-spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-4-yl]methyl sulfite
CID 134279624
(3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
CID 155095733
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949961
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130060
bis(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-4-ylmethyl) sulfate
CID 134279644

Frequently Asked Questions

What is the IUPAC name of spiro[3H-1-benzofuran-2,1'-cyclopentane]-3-carbaldehyde?
The IUPAC name of spiro[3H-1-benzofuran-2,1'-cyclopentane]-3-carbaldehyde (CID 117046108) is spiro[3H-1-benzofuran-2,1'-cyclopentane]-3-carbaldehyde.
What is the SMILES notation for spiro[3H-1-benzofuran-2,1'-cyclopentane]-3-carbaldehyde?
The canonical SMILES for spiro[3H-1-benzofuran-2,1'-cyclopentane]-3-carbaldehyde is O=CC1c2ccccc2OC12CCCC2.
What is the InChIKey of spiro[3H-1-benzofuran-2,1'-cyclopentane]-3-carbaldehyde?
The InChIKey is HYOGEGBEVKBOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-9-11-10-5-1-2-6-12(10)15-13(11)7-3-4-8-13/h1-2,5-6,9,11H,3-4,7-8H2.
What are the key properties of spiro[3H-1-benzofuran-2,1'-cyclopentane]-3-carbaldehyde?
spiro[3H-1-benzofuran-2,1'-cyclopentane]-3-carbaldehyde has a molecular weight of 202.25 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3H-1-benzofuran-2,1'-cyclopentane]-3-carbaldehyde is sourced from PubChem (CID 117046108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).