1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene

C11H10Br2 — CID 12621746

IUPAC1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene
SMILESBrC1(Br)C2CCc3ccccc3C21
InChIInChI=1S/C11H10Br2/c12-11(13)9-6-5-7-3-1-2-4-8(7)10(9)11/h1-4,9-10H,5-6H2
InChIKeyUKKKUUREIJGVFS-UHFFFAOYSA-N
MW302.01 g/mol
LogP3.83
Rot. Bonds

About 1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene

1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene (PubChem CID 12621746) has the molecular formula C11H10Br2 and a molecular weight of 302.01 g/mol. Its IUPAC name is 1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene.

Molecular Properties

Compound Name1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene
PubChem CID12621746
Molecular FormulaC11H10Br2
Molecular Weight302.01 g/mol
Exact Mass299.91
IUPAC Name1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene
SMILESBrC1(Br)C2CCc3ccccc3C21
InChIInChI=1S/C11H10Br2/c12-11(13)9-6-5-7-3-1-2-4-8(7)10(9)11/h1-4,9-10H,5-6H2
InChIKeyUKKKUUREIJGVFS-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.01
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene-1,1-dicarboxylate
CID 135044942
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
2-[(1R)-2,3-dihydro-1H-inden-1-yl]phenol
CID 86317176
2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570832
[(1S)-2,3-dihydro-1H-inden-1-yl]-trimethylazanium
CID 57317290
CID 11170996
CID 11170996
1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene
CID 156649341
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
(4S)-4-methylspiro[3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1'-cyclobutane]
CID 22294456
5-bromo-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63514780
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753

Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene?
The IUPAC name of 1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene (CID 12621746) is 1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene.
What is the SMILES notation for 1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene?
The canonical SMILES for 1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene is BrC1(Br)C2CCc3ccccc3C21.
What is the InChIKey of 1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene?
The InChIKey is UKKKUUREIJGVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2/c12-11(13)9-6-5-7-3-1-2-4-8(7)10(9)11/h1-4,9-10H,5-6H2.
What are the key properties of 1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene?
1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene has a molecular weight of 302.01 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene is sourced from PubChem (CID 12621746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).