N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine

C13H14BrN — CID 43762853

IUPACN-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESBrc1cccc(NC2CC3CC=CC32)c1
InChIInChI=1S/C13H14BrN/c14-10-4-2-5-11(8-10)15-13-7-9-3-1-6-12(9)13/h1-2,4-6,8-9,12-13,15H,3,7H2
InChIKeyZNPFCEGPOGWBSE-UHFFFAOYSA-N
MW264.17 g/mol
LogP3.83
Rot. Bonds2

About N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43762853) has the molecular formula C13H14BrN and a molecular weight of 264.17 g/mol. Its IUPAC name is N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43762853
Molecular FormulaC13H14BrN
Molecular Weight264.17 g/mol
Exact Mass263.03
IUPAC NameN-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESBrc1cccc(NC2CC3CC=CC32)c1
InChIInChI=1S/C13H14BrN/c14-10-4-2-5-11(8-10)15-13-7-9-3-1-6-12(9)13/h1-2,4-6,8-9,12-13,15H,3,7H2
InChIKeyZNPFCEGPOGWBSE-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylsulfanylphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43757292
N-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 65437109
1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one
CID 43783655
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43789664
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)cyclohexane-1,2-diamine
CID 12024701
N-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43760539
N-(6-bicyclo[3.2.0]hept-3-enyl)quinolin-3-amine
CID 43782745
5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide
CID 43784525
N-(6-bicyclo[3.2.0]hept-3-enyl)-1H-indazol-6-amine
CID 43790623
N-(3-bromophenyl)adamantan-2-amine
CID 3481796
N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide
CID 43790084
2-(3-bromoanilino)cyclohexan-1-ol
CID 60884414

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 43762853) is N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine is Brc1cccc(NC2CC3CC=CC32)c1.
What is the InChIKey of N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is ZNPFCEGPOGWBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN/c14-10-4-2-5-11(8-10)15-13-7-9-3-1-6-12(9)13/h1-2,4-6,8-9,12-13,15H,3,7H2.
What are the key properties of N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 264.17 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43762853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).