2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane]

C13H15Br — CID 81351640

IUPAC2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane]
SMILESBrCC1CC12CCCc1ccccc12
InChIInChI=1S/C13H15Br/c14-9-11-8-13(11)7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11H,3,5,7-9H2
InChIKeyFPQIPISNZHAERE-UHFFFAOYSA-N
MW251.17 g/mol
LogP3.68
Rot. Bonds1

About 2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane]

2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane] (PubChem CID 81351640) has the molecular formula C13H15Br and a molecular weight of 251.17 g/mol. Its IUPAC name is 2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane].

Molecular Properties

Compound Name2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane]
PubChem CID81351640
Molecular FormulaC13H15Br
Molecular Weight251.17 g/mol
Exact Mass250.04
IUPAC Name2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane]
SMILESBrCC1CC12CCCc1ccccc12
InChIInChI=1S/C13H15Br/c14-9-11-8-13(11)7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11H,3,5,7-9H2
InChIKeyFPQIPISNZHAERE-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 53.68
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

3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane
CID 153095683
2-methyl-N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)propan-1-amine
CID 62713354
[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
CID 94557979
spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine
CID 71743862
N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine
CID 99695886
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)propan-2-amine
CID 62707821
N-[2-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methylcarbamoylamino]ethyl]cyclopropanecarboxamide
CID 97225874
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine
CID 62712841
(1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
CID 129294066
(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97219151
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclopropanamine
CID 62712616

Frequently Asked Questions

What is the IUPAC name of 2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane]?
The IUPAC name of 2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane] (CID 81351640) is 2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane].
What is the SMILES notation for 2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane]?
The canonical SMILES for 2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane] is BrCC1CC12CCCc1ccccc12.
What is the InChIKey of 2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane]?
The InChIKey is FPQIPISNZHAERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br/c14-9-11-8-13(11)7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11H,3,5,7-9H2.
What are the key properties of 2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane]?
2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane] has a molecular weight of 251.17 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane] is sourced from PubChem (CID 81351640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).