(2-amino-4-bromophenyl)-(cyclopenten-1-yl)methanone

C12H12BrNO — CID 130516001

IUPAC(2-amino-4-bromophenyl)-(cyclopenten-1-yl)methanone
SMILESNc1cc(Br)ccc1C(=O)C1=CCCC1
InChIInChI=1S/C12H12BrNO/c13-9-5-6-10(11(14)7-9)12(15)8-3-1-2-4-8/h3,5-7H,1-2,4,14H2
InChIKeyRVMOBTUEUQUJCD-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.32
Rot. Bonds2

About (2-amino-4-bromophenyl)-(cyclopenten-1-yl)methanone

(2-amino-4-bromophenyl)-(cyclopenten-1-yl)methanone (PubChem CID 130516001) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is (2-amino-4-bromophenyl)-(cyclopenten-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-bromophenyl)-(cyclopenten-1-yl)methanone
PubChem CID130516001
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name(2-amino-4-bromophenyl)-(cyclopenten-1-yl)methanone
SMILESNc1cc(Br)ccc1C(=O)C1=CCCC1
InChIInChI=1S/C12H12BrNO/c13-9-5-6-10(11(14)7-9)12(15)8-3-1-2-4-8/h3,5-7H,1-2,4,14H2
InChIKeyRVMOBTUEUQUJCD-UHFFFAOYSA-N
XLogP3.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone
CID 115353718
(4-amino-3-bromophenyl)-(cyclohepten-1-yl)methanone
CID 106655438
(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
CID 15918246
(2-amino-4-bromophenyl)-cyclopentylmethanone
CID 116591688
(2-amino-3-pyridinyl)-(cyclopenten-1-yl)methanone
CID 103448139
(2-bromo-5-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 106655776
(5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone
CID 62079364
(2-amino-4-bromophenyl)-(azepan-1-yl)methanone
CID 69071535
1-(2-amino-4-bromophenyl)-2-hydroxyethanone
CID 155640752
(2-amino-4-bromophenyl)-(2,4-dimethoxyphenyl)methanone
CID 116591704
(2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone
CID 116591705
(2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone
CID 116591846

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-bromophenyl)-(cyclopenten-1-yl)methanone?
The IUPAC name of (2-amino-4-bromophenyl)-(cyclopenten-1-yl)methanone (CID 130516001) is (2-amino-4-bromophenyl)-(cyclopenten-1-yl)methanone.
What is the SMILES notation for (2-amino-4-bromophenyl)-(cyclopenten-1-yl)methanone?
The canonical SMILES for (2-amino-4-bromophenyl)-(cyclopenten-1-yl)methanone is Nc1cc(Br)ccc1C(=O)C1=CCCC1.
What is the InChIKey of (2-amino-4-bromophenyl)-(cyclopenten-1-yl)methanone?
The InChIKey is RVMOBTUEUQUJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c13-9-5-6-10(11(14)7-9)12(15)8-3-1-2-4-8/h3,5-7H,1-2,4,14H2.
What are the key properties of (2-amino-4-bromophenyl)-(cyclopenten-1-yl)methanone?
(2-amino-4-bromophenyl)-(cyclopenten-1-yl)methanone has a molecular weight of 266.14 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-bromophenyl)-(cyclopenten-1-yl)methanone is sourced from PubChem (CID 130516001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).