6-bromo-1,2,3,4a-tetrahydrocarbazol-4-one

C12H10BrNO — CID 141403440

IUPAC6-bromo-1,2,3,4a-tetrahydrocarbazol-4-one
SMILESO=C1CCCC2=Nc3ccc(Br)cc3C12
InChIInChI=1S/C12H10BrNO/c13-7-4-5-9-8(6-7)12-10(14-9)2-1-3-11(12)15/h4-6,12H,1-3H2
InChIKeyMLNFOCDAPLVKHQ-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.37
Rot. Bonds

About 6-bromo-1,2,3,4a-tetrahydrocarbazol-4-one

6-bromo-1,2,3,4a-tetrahydrocarbazol-4-one (PubChem CID 141403440) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 6-bromo-1,2,3,4a-tetrahydrocarbazol-4-one.

Molecular Properties

Compound Name6-bromo-1,2,3,4a-tetrahydrocarbazol-4-one
PubChem CID141403440
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name6-bromo-1,2,3,4a-tetrahydrocarbazol-4-one
SMILESO=C1CCCC2=Nc3ccc(Br)cc3C12
InChIInChI=1S/C12H10BrNO/c13-7-4-5-9-8(6-7)12-10(14-9)2-1-3-11(12)15/h4-6,12H,1-3H2
InChIKeyMLNFOCDAPLVKHQ-UHFFFAOYSA-N
XLogP3.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2,3,4a-tetrahydrocarbazol-4-one?
The IUPAC name of 6-bromo-1,2,3,4a-tetrahydrocarbazol-4-one (CID 141403440) is 6-bromo-1,2,3,4a-tetrahydrocarbazol-4-one.
What is the SMILES notation for 6-bromo-1,2,3,4a-tetrahydrocarbazol-4-one?
The canonical SMILES for 6-bromo-1,2,3,4a-tetrahydrocarbazol-4-one is O=C1CCCC2=Nc3ccc(Br)cc3C12.
What is the InChIKey of 6-bromo-1,2,3,4a-tetrahydrocarbazol-4-one?
The InChIKey is MLNFOCDAPLVKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c13-7-4-5-9-8(6-7)12-10(14-9)2-1-3-11(12)15/h4-6,12H,1-3H2.
What are the key properties of 6-bromo-1,2,3,4a-tetrahydrocarbazol-4-one?
6-bromo-1,2,3,4a-tetrahydrocarbazol-4-one has a molecular weight of 264.12 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,2,3,4a-tetrahydrocarbazol-4-one is sourced from PubChem (CID 141403440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).