(4-bromo-1H-pyrrol-2-yl)-piperidin-1-ylmethanone

C10H13BrN2O — CID 2766365

IUPAC(4-bromo-1H-pyrrol-2-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(Br)c[nH]1)N1CCCCC1
InChIInChI=1S/C10H13BrN2O/c11-8-6-9(12-7-8)10(14)13-4-2-1-3-5-13/h6-7,12H,1-5H2
InChIKeyIGBNXEGULSVUNQ-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.40
Rot. Bonds1

About (4-bromo-1H-pyrrol-2-yl)-piperidin-1-ylmethanone

(4-bromo-1H-pyrrol-2-yl)-piperidin-1-ylmethanone (PubChem CID 2766365) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is (4-bromo-1H-pyrrol-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1H-pyrrol-2-yl)-piperidin-1-ylmethanone
PubChem CID2766365
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name(4-bromo-1H-pyrrol-2-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(Br)c[nH]1)N1CCCCC1
InChIInChI=1S/C10H13BrN2O/c11-8-6-9(12-7-8)10(14)13-4-2-1-3-5-13/h6-7,12H,1-5H2
InChIKeyIGBNXEGULSVUNQ-UHFFFAOYSA-N
XLogP2.40
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrrol-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-bromo-1H-pyrrol-2-yl)-piperidin-1-ylmethanone (CID 2766365) is (4-bromo-1H-pyrrol-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-bromo-1H-pyrrol-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-bromo-1H-pyrrol-2-yl)-piperidin-1-ylmethanone is O=C(c1cc(Br)c[nH]1)N1CCCCC1.
What is the InChIKey of (4-bromo-1H-pyrrol-2-yl)-piperidin-1-ylmethanone?
The InChIKey is IGBNXEGULSVUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-8-6-9(12-7-8)10(14)13-4-2-1-3-5-13/h6-7,12H,1-5H2.
What are the key properties of (4-bromo-1H-pyrrol-2-yl)-piperidin-1-ylmethanone?
(4-bromo-1H-pyrrol-2-yl)-piperidin-1-ylmethanone has a molecular weight of 257.13 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrrol-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 2766365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).