(1S,7R)-4-bromotricyclo[4.1.0.02,7]hept-4-en-3-ol

C7H7BrO — CID 10954270

IUPAC(1S,7R)-4-bromotricyclo[4.1.0.02,7]hept-4-en-3-ol
SMILESOC1C(Br)=CC2[C@@H]3C1[C@H]23
InChIInChI=1S/C7H7BrO/c8-3-1-2-4-5(2)6(4)7(3)9/h1-2,4-7,9H/t2?,4-,5+,6?,7?
InChIKeyMAZKAXGQCKMJHW-SLMQOUOUSA-N
MW187.04 g/mol
LogP1.13
Rot. Bonds

About (1S,7R)-4-bromotricyclo[4.1.0.02,7]hept-4-en-3-ol

(1S,7R)-4-bromotricyclo[4.1.0.02,7]hept-4-en-3-ol (PubChem CID 10954270) has the molecular formula C7H7BrO and a molecular weight of 187.04 g/mol. Its IUPAC name is (1S,7R)-4-bromotricyclo[4.1.0.02,7]hept-4-en-3-ol.

Molecular Properties

Compound Name(1S,7R)-4-bromotricyclo[4.1.0.02,7]hept-4-en-3-ol
PubChem CID10954270
Molecular FormulaC7H7BrO
Molecular Weight187.04 g/mol
Exact Mass185.97
IUPAC Name(1S,7R)-4-bromotricyclo[4.1.0.02,7]hept-4-en-3-ol
SMILESOC1C(Br)=CC2[C@@H]3C1[C@H]23
InChIInChI=1S/C7H7BrO/c8-3-1-2-4-5(2)6(4)7(3)9/h1-2,4-7,9H/t2?,4-,5+,6?,7?
InChIKeyMAZKAXGQCKMJHW-SLMQOUOUSA-N
XLogP1.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,7R)-4-bromotricyclo[4.1.0.02,7]hept-4-en-3-ol?
The IUPAC name of (1S,7R)-4-bromotricyclo[4.1.0.02,7]hept-4-en-3-ol (CID 10954270) is (1S,7R)-4-bromotricyclo[4.1.0.02,7]hept-4-en-3-ol.
What is the SMILES notation for (1S,7R)-4-bromotricyclo[4.1.0.02,7]hept-4-en-3-ol?
The canonical SMILES for (1S,7R)-4-bromotricyclo[4.1.0.02,7]hept-4-en-3-ol is OC1C(Br)=CC2[C@@H]3C1[C@H]23.
What is the InChIKey of (1S,7R)-4-bromotricyclo[4.1.0.02,7]hept-4-en-3-ol?
The InChIKey is MAZKAXGQCKMJHW-SLMQOUOUSA-N. The full InChI is InChI=1S/C7H7BrO/c8-3-1-2-4-5(2)6(4)7(3)9/h1-2,4-7,9H/t2?,4-,5+,6?,7?.
What are the key properties of (1S,7R)-4-bromotricyclo[4.1.0.02,7]hept-4-en-3-ol?
(1S,7R)-4-bromotricyclo[4.1.0.02,7]hept-4-en-3-ol has a molecular weight of 187.04 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R)-4-bromotricyclo[4.1.0.02,7]hept-4-en-3-ol is sourced from PubChem (CID 10954270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).