1-(3-bromophenyl)pyrrolidine

C10H12BrN — CID 7016459

IUPAC1-(3-bromophenyl)pyrrolidine
SMILESBrc1cccc(N2CCCC2)c1
InChIInChI=1S/C10H12BrN/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2
InChIKeySKCNYQBWULWGAP-UHFFFAOYSA-N
MW226.12 g/mol
LogP3.05
Rot. Bonds1

About 1-(3-bromophenyl)pyrrolidine

1-(3-bromophenyl)pyrrolidine (PubChem CID 7016459) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 1-(3-bromophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-bromophenyl)pyrrolidine
PubChem CID7016459
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name1-(3-bromophenyl)pyrrolidine
SMILESBrc1cccc(N2CCCC2)c1
InChIInChI=1S/C10H12BrN/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2
InChIKeySKCNYQBWULWGAP-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 170459085
1-(3-bromophenyl)-4-tert-butylpiperazine
CID 68819490
N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943060
1-(3-bromophenyl)azetidin-3-amine
CID 117002846
3-piperidin-1-ylbenzenethiol
CID 13029856
1-(3-chlorophenyl)azonane
CID 145391535
4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine
CID 163356432
(3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine
CID 146646153
5-(3-bromophenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 170087706
(3-pyrrolidin-1-ylphenyl)methanol
CID 7162062
1-(3-methoxyphenyl)azepane
CID 57276431
N-phosphanyl-3-pyrrolidin-1-ylaniline
CID 59272549

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)pyrrolidine?
The IUPAC name of 1-(3-bromophenyl)pyrrolidine (CID 7016459) is 1-(3-bromophenyl)pyrrolidine.
What is the SMILES notation for 1-(3-bromophenyl)pyrrolidine?
The canonical SMILES for 1-(3-bromophenyl)pyrrolidine is Brc1cccc(N2CCCC2)c1.
What is the InChIKey of 1-(3-bromophenyl)pyrrolidine?
The InChIKey is SKCNYQBWULWGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2.
What are the key properties of 1-(3-bromophenyl)pyrrolidine?
1-(3-bromophenyl)pyrrolidine has a molecular weight of 226.12 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)pyrrolidine is sourced from PubChem (CID 7016459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).