5-amino-3-bromocyclohexa-1,3-dien-1-ol

C6H8BrNO — CID 90451179

IUPAC5-amino-3-bromocyclohexa-1,3-dien-1-ol
SMILESNC1C=C(Br)C=C(O)C1
InChIInChI=1S/C6H8BrNO/c7-4-1-5(8)3-6(9)2-4/h1-2,5,9H,3,8H2
InChIKeyDANLMLWJWDCUKK-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.44
Rot. Bonds

About 5-amino-3-bromocyclohexa-1,3-dien-1-ol

5-amino-3-bromocyclohexa-1,3-dien-1-ol (PubChem CID 90451179) has the molecular formula C6H8BrNO and a molecular weight of 190.04 g/mol. Its IUPAC name is 5-amino-3-bromocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-amino-3-bromocyclohexa-1,3-dien-1-ol
PubChem CID90451179
Molecular FormulaC6H8BrNO
Molecular Weight190.04 g/mol
Exact Mass188.98
IUPAC Name5-amino-3-bromocyclohexa-1,3-dien-1-ol
SMILESNC1C=C(Br)C=C(O)C1
InChIInChI=1S/C6H8BrNO/c7-4-1-5(8)3-6(9)2-4/h1-2,5,9H,3,8H2
InChIKeyDANLMLWJWDCUKK-UHFFFAOYSA-N
XLogP1.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromocyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-amino-3-bromocyclohexa-1,3-dien-1-ol (CID 90451179) is 5-amino-3-bromocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-amino-3-bromocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-amino-3-bromocyclohexa-1,3-dien-1-ol is NC1C=C(Br)C=C(O)C1.
What is the InChIKey of 5-amino-3-bromocyclohexa-1,3-dien-1-ol?
The InChIKey is DANLMLWJWDCUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO/c7-4-1-5(8)3-6(9)2-4/h1-2,5,9H,3,8H2.
What are the key properties of 5-amino-3-bromocyclohexa-1,3-dien-1-ol?
5-amino-3-bromocyclohexa-1,3-dien-1-ol has a molecular weight of 190.04 g/mol, XLogP of 1.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 90451179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).