(4-bromo-1H-pyrrol-2-yl)-(3-ethyl-3-methylazetidin-1-yl)methanone

C11H15BrN2O — CID 131209512

IUPAC(4-bromo-1H-pyrrol-2-yl)-(3-ethyl-3-methylazetidin-1-yl)methanone
SMILESCCC1(C)CN(C(=O)c2cc(Br)c[nH]2)C1
InChIInChI=1S/C11H15BrN2O/c1-3-11(2)6-14(7-11)10(15)9-4-8(12)5-13-9/h4-5,13H,3,6-7H2,1-2H3
InChIKeyQDFNPFOWAFNUPK-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.65
Rot. Bonds2

About (4-bromo-1H-pyrrol-2-yl)-(3-ethyl-3-methylazetidin-1-yl)methanone

(4-bromo-1H-pyrrol-2-yl)-(3-ethyl-3-methylazetidin-1-yl)methanone (PubChem CID 131209512) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is (4-bromo-1H-pyrrol-2-yl)-(3-ethyl-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1H-pyrrol-2-yl)-(3-ethyl-3-methylazetidin-1-yl)methanone
PubChem CID131209512
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name(4-bromo-1H-pyrrol-2-yl)-(3-ethyl-3-methylazetidin-1-yl)methanone
SMILESCCC1(C)CN(C(=O)c2cc(Br)c[nH]2)C1
InChIInChI=1S/C11H15BrN2O/c1-3-11(2)6-14(7-11)10(15)9-4-8(12)5-13-9/h4-5,13H,3,6-7H2,1-2H3
InChIKeyQDFNPFOWAFNUPK-UHFFFAOYSA-N
XLogP2.65
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(4-bromo-1H-pyrrole-2-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
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(4-bromo-1H-pyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
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4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide
CID 103737365
1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide
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(4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 95376910
1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
CID 32978533
1-(4-bromo-1H-pyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595477
(4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775240
4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide
CID 43410885
(4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrrol-2-yl)-(3-ethyl-3-methylazetidin-1-yl)methanone?
The IUPAC name of (4-bromo-1H-pyrrol-2-yl)-(3-ethyl-3-methylazetidin-1-yl)methanone (CID 131209512) is (4-bromo-1H-pyrrol-2-yl)-(3-ethyl-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1H-pyrrol-2-yl)-(3-ethyl-3-methylazetidin-1-yl)methanone?
The canonical SMILES for (4-bromo-1H-pyrrol-2-yl)-(3-ethyl-3-methylazetidin-1-yl)methanone is CCC1(C)CN(C(=O)c2cc(Br)c[nH]2)C1.
What is the InChIKey of (4-bromo-1H-pyrrol-2-yl)-(3-ethyl-3-methylazetidin-1-yl)methanone?
The InChIKey is QDFNPFOWAFNUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-11(2)6-14(7-11)10(15)9-4-8(12)5-13-9/h4-5,13H,3,6-7H2,1-2H3.
What are the key properties of (4-bromo-1H-pyrrol-2-yl)-(3-ethyl-3-methylazetidin-1-yl)methanone?
(4-bromo-1H-pyrrol-2-yl)-(3-ethyl-3-methylazetidin-1-yl)methanone has a molecular weight of 271.16 g/mol, XLogP of 2.65, 2 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)-(3-ethyl-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 131209512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).