6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,4'-oxane]-1-imine

C15H16BrNO — CID 148941485

IUPAC6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,4'-oxane]-1-imine
SMILES[H]/N=C1\C2c3cc(Br)ccc3CC3(CCOCC3)C12
InChIInChI=1S/C15H16BrNO/c16-10-2-1-9-8-15(3-5-18-6-4-15)13-12(14(13)17)11(9)7-10/h1-2,7,12-13,17H,3-6,8H2/b17-14+
InChIKeyPNZNHSJMTPAXHV-SAPNQHFASA-N
MW306.20 g/mol
LogP3.54
Rot. Bonds

About 6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,4'-oxane]-1-imine

6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,4'-oxane]-1-imine (PubChem CID 148941485) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,4'-oxane]-1-imine.

Molecular Properties

Compound Name6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,4'-oxane]-1-imine
PubChem CID148941485
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,4'-oxane]-1-imine
SMILES[H]/N=C1\C2c3cc(Br)ccc3CC3(CCOCC3)C12
InChIInChI=1S/C15H16BrNO/c16-10-2-1-9-8-15(3-5-18-6-4-15)13-12(14(13)17)11(9)7-10/h1-2,7,12-13,17H,3-6,8H2/b17-14+
InChIKeyPNZNHSJMTPAXHV-SAPNQHFASA-N
XLogP3.54
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,4'-oxane]-1-imine?
The IUPAC name of 6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,4'-oxane]-1-imine (CID 148941485) is 6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,4'-oxane]-1-imine.
What is the SMILES notation for 6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,4'-oxane]-1-imine?
The canonical SMILES for 6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,4'-oxane]-1-imine is [H]/N=C1\C2c3cc(Br)ccc3CC3(CCOCC3)C12.
What is the InChIKey of 6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,4'-oxane]-1-imine?
The InChIKey is PNZNHSJMTPAXHV-SAPNQHFASA-N. The full InChI is InChI=1S/C15H16BrNO/c16-10-2-1-9-8-15(3-5-18-6-4-15)13-12(14(13)17)11(9)7-10/h1-2,7,12-13,17H,3-6,8H2/b17-14+.
What are the key properties of 6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,4'-oxane]-1-imine?
6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,4'-oxane]-1-imine has a molecular weight of 306.20 g/mol, XLogP of 3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,4'-oxane]-1-imine is sourced from PubChem (CID 148941485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).