1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]

C20H20 — CID 139627305

IUPAC1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]
SMILESCC12CC(c3ccccc31)C1(CCc3ccccc31)C2
InChIInChI=1S/C20H20/c1-19-12-18(15-7-3-5-9-17(15)19)20(13-19)11-10-14-6-2-4-8-16(14)20/h2-9,18H,10-13H2,1H3
InChIKeyQFRVYIIQKMXDJM-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.72
Rot. Bonds

About 1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]

1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene] (PubChem CID 139627305) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene].

Molecular Properties

Compound Name1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]
PubChem CID139627305
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]
SMILESCC12CC(c3ccccc31)C1(CCc3ccccc31)C2
InChIInChI=1S/C20H20/c1-19-12-18(15-7-3-5-9-17(15)19)20(13-19)11-10-14-6-2-4-8-16(14)20/h2-9,18H,10-13H2,1H3
InChIKeyQFRVYIIQKMXDJM-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene] with MolForge

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Related Compounds

spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrochloride
CID 71756685
[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
CID 94557979
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)propan-2-amine
CID 62707821
(1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 129294099
2-methylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 176678074
2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 167309537
4,4,5,5-tetramethyl-2-[(1'S,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]-1,3,2-dioxaborolane
CID 166442850
(1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride
CID 129285061
spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
CID 173049305
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclopropanamine
CID 62712616
[5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol
CID 97055664
2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane]
CID 81351640

Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]?
The IUPAC name of 1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene] (CID 139627305) is 1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene].
What is the SMILES notation for 1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]?
The canonical SMILES for 1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene] is CC12CC(c3ccccc31)C1(CCc3ccccc31)C2.
What is the InChIKey of 1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]?
The InChIKey is QFRVYIIQKMXDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-19-12-18(15-7-3-5-9-17(15)19)20(13-19)11-10-14-6-2-4-8-16(14)20/h2-9,18H,10-13H2,1H3.
What are the key properties of 1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]?
1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene] has a molecular weight of 260.38 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene] is sourced from PubChem (CID 139627305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).