5-bromo-3-methylidenespiro[1H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]

C20H19Br — CID 118592324

IUPAC5-bromo-3-methylidenespiro[1H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]
SMILESC=C1c2cc(Br)ccc2CC12CCc1ccccc1CC2
InChIInChI=1S/C20H19Br/c1-14-19-12-18(21)7-6-17(19)13-20(14)10-8-15-4-2-3-5-16(15)9-11-20/h2-7,12H,1,8-11,13H2
InChIKeyJOVNXYPKZGSFNR-UHFFFAOYSA-N
MW339.28 g/mol
LogP5.58
Rot. Bonds

About 5-bromo-3-methylidenespiro[1H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]

5-bromo-3-methylidenespiro[1H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene] (PubChem CID 118592324) has the molecular formula C20H19Br and a molecular weight of 339.28 g/mol. Its IUPAC name is 5-bromo-3-methylidenespiro[1H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene].

Molecular Properties

Compound Name5-bromo-3-methylidenespiro[1H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]
PubChem CID118592324
Molecular FormulaC20H19Br
Molecular Weight339.28 g/mol
Exact Mass338.07
IUPAC Name5-bromo-3-methylidenespiro[1H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]
SMILESC=C1c2cc(Br)ccc2CC12CCc1ccccc1CC2
InChIInChI=1S/C20H19Br/c1-14-19-12-18(21)7-6-17(19)13-20(14)10-8-15-4-2-3-5-16(15)9-11-20/h2-7,12H,1,8-11,13H2
InChIKeyJOVNXYPKZGSFNR-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.28
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methylidenespiro[1H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]?
The IUPAC name of 5-bromo-3-methylidenespiro[1H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene] (CID 118592324) is 5-bromo-3-methylidenespiro[1H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene].
What is the SMILES notation for 5-bromo-3-methylidenespiro[1H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]?
The canonical SMILES for 5-bromo-3-methylidenespiro[1H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene] is C=C1c2cc(Br)ccc2CC12CCc1ccccc1CC2.
What is the InChIKey of 5-bromo-3-methylidenespiro[1H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]?
The InChIKey is JOVNXYPKZGSFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Br/c1-14-19-12-18(21)7-6-17(19)13-20(14)10-8-15-4-2-3-5-16(15)9-11-20/h2-7,12H,1,8-11,13H2.
What are the key properties of 5-bromo-3-methylidenespiro[1H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]?
5-bromo-3-methylidenespiro[1H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene] has a molecular weight of 339.28 g/mol, XLogP of 5.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methylidenespiro[1H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene] is sourced from PubChem (CID 118592324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).