(3-bromophenyl)-pyrrolidin-1-ylmethanone

C11H12BrNO — CID 766188

IUPAC(3-bromophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(Br)c1)N1CCCC1
InChIInChI=1S/C11H12BrNO/c12-10-5-3-4-9(8-10)11(14)13-6-1-2-7-13/h3-5,8H,1-2,6-7H2
InChIKeyZFWDUMGAQDJYAE-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.69
Rot. Bonds1

About (3-bromophenyl)-pyrrolidin-1-ylmethanone

(3-bromophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 766188) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is (3-bromophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-bromophenyl)-pyrrolidin-1-ylmethanone
PubChem CID766188
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name(3-bromophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(Br)c1)N1CCCC1
InChIInChI=1S/C11H12BrNO/c12-10-5-3-4-9(8-10)11(14)13-6-1-2-7-13/h3-5,8H,1-2,6-7H2
InChIKeyZFWDUMGAQDJYAE-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-bromophenyl)-pyrrolidin-1-ylmethanone (CID 766188) is (3-bromophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-bromophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-bromophenyl)-pyrrolidin-1-ylmethanone is O=C(c1cccc(Br)c1)N1CCCC1.
What is the InChIKey of (3-bromophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is ZFWDUMGAQDJYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-10-5-3-4-9(8-10)11(14)13-6-1-2-7-13/h3-5,8H,1-2,6-7H2.
What are the key properties of (3-bromophenyl)-pyrrolidin-1-ylmethanone?
(3-bromophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 254.13 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 766188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).