(4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C14H19BrN2O2 — CID 63764298

IUPAC(4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCCn1cc(Br)cc1C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H19BrN2O2/c1-2-16-8-9(15)5-13(16)14(19)17-10-3-4-11(17)7-12(18)6-10/h5,8,10-12,18H,2-4,6-7H2,1H3
InChIKeySZVGIKIMOUVMPK-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.40
Rot. Bonds2

About (4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 63764298) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID63764298
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name(4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCCn1cc(Br)cc1C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H19BrN2O2/c1-2-16-8-9(15)5-13(16)14(19)17-10-3-4-11(17)7-12(18)6-10/h5,8,10-12,18H,2-4,6-7H2,1H3
InChIKeySZVGIKIMOUVMPK-UHFFFAOYSA-N
XLogP2.40
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone with MolForge

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Related Compounds

4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide
CID 66005799
(4-chloro-1-propylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63763816
(4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
CID 43639622
(4-bromo-1-ethylpyrrol-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43641435
1-(4-bromo-1-ethylpyrrole-2-carbonyl)piperidine-4-carboxylic acid
CID 43639541
1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one
CID 60955284
(3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
CID 103575979
1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide
CID 43641316
3-(4-bromo-1-ethylpyrrole-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63782099
3-(4-bromo-1-ethylpyrrole-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63793099
(4-bromo-2-chlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63764860
4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
CID 55211463

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 63764298) is (4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is CCn1cc(Br)cc1C(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of (4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is SZVGIKIMOUVMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-2-16-8-9(15)5-13(16)14(19)17-10-3-4-11(17)7-12(18)6-10/h5,8,10-12,18H,2-4,6-7H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 327.22 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 63764298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).