2-amino-1-bromobenzo[c]chromen-6-one

C13H8BrNO2 — CID 68941331

IUPAC2-amino-1-bromobenzo[c]chromen-6-one
SMILESNc1ccc2oc(=O)c3ccccc3c2c1Br
InChIInChI=1S/C13H8BrNO2/c14-12-9(15)5-6-10-11(12)7-3-1-2-4-8(7)13(16)17-10/h1-6H,15H2
InChIKeyCGFRGNJVPUFGMN-UHFFFAOYSA-N
MW290.12 g/mol
LogP3.29
Rot. Bonds

About 2-amino-1-bromobenzo[c]chromen-6-one

2-amino-1-bromobenzo[c]chromen-6-one (PubChem CID 68941331) has the molecular formula C13H8BrNO2 and a molecular weight of 290.12 g/mol. Its IUPAC name is 2-amino-1-bromobenzo[c]chromen-6-one.

Molecular Properties

Compound Name2-amino-1-bromobenzo[c]chromen-6-one
PubChem CID68941331
Molecular FormulaC13H8BrNO2
Molecular Weight290.12 g/mol
Exact Mass288.97
IUPAC Name2-amino-1-bromobenzo[c]chromen-6-one
SMILESNc1ccc2oc(=O)c3ccccc3c2c1Br
InChIInChI=1S/C13H8BrNO2/c14-12-9(15)5-6-10-11(12)7-3-1-2-4-8(7)13(16)17-10/h1-6H,15H2
InChIKeyCGFRGNJVPUFGMN-UHFFFAOYSA-N
XLogP3.29
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
8-amino-7-bromo-4-fluorobenzo[c]chromen-6-one
CID 22625852
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CID 57325981
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CID 142749742
8-bromo-[1]benzofuro[3,2-c]chromen-6-one
CID 132544838
1-benzoylbenzo[c]chromen-6-one
CID 21258648
benzo[d][2]benzoxepine-5,7-dione;ethane
CID 90954476
dibenzofuran-1,2-diamine
CID 21425844
1-bromo-3,4-difluorobenzo[c]chromen-6-one
CID 141227878
2-phenoxybenzo[c]chromen-6-one
CID 164686095
4-amino-3-phenylchromen-2-one
CID 617040
naphtho[2,3-c]isochromen-5-one
CID 11379597

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-bromobenzo[c]chromen-6-one?
The IUPAC name of 2-amino-1-bromobenzo[c]chromen-6-one (CID 68941331) is 2-amino-1-bromobenzo[c]chromen-6-one.
What is the SMILES notation for 2-amino-1-bromobenzo[c]chromen-6-one?
The canonical SMILES for 2-amino-1-bromobenzo[c]chromen-6-one is Nc1ccc2oc(=O)c3ccccc3c2c1Br.
What is the InChIKey of 2-amino-1-bromobenzo[c]chromen-6-one?
The InChIKey is CGFRGNJVPUFGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNO2/c14-12-9(15)5-6-10-11(12)7-3-1-2-4-8(7)13(16)17-10/h1-6H,15H2.
What are the key properties of 2-amino-1-bromobenzo[c]chromen-6-one?
2-amino-1-bromobenzo[c]chromen-6-one has a molecular weight of 290.12 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-bromobenzo[c]chromen-6-one is sourced from PubChem (CID 68941331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).