5-bromo-1-[1-[1-(cyclobutylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]pyridin-2-one

C19H23BrN2O2 — CID 139467221

IUPAC5-bromo-1-[1-[1-(cyclobutylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]pyridin-2-one
SMILESCc1cc(C(=O)C(C)n2cc(Br)ccc2=O)c(C)n1CC1CCC1
InChIInChI=1S/C19H23BrN2O2/c1-12-9-17(13(2)21(12)10-15-5-4-6-15)19(24)14(3)22-11-16(20)7-8-18(22)23/h7-9,11,14-15H,4-6,10H2,1-3H3
InChIKeyYWCSWPAKUBDSIT-UHFFFAOYSA-N
MW391.31 g/mol
LogP4.27
Rot. Bonds5

About 5-bromo-1-[1-[1-(cyclobutylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]pyridin-2-one

5-bromo-1-[1-[1-(cyclobutylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]pyridin-2-one (PubChem CID 139467221) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 5-bromo-1-[1-[1-(cyclobutylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[1-[1-(cyclobutylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]pyridin-2-one
PubChem CID139467221
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name5-bromo-1-[1-[1-(cyclobutylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]pyridin-2-one
SMILESCc1cc(C(=O)C(C)n2cc(Br)ccc2=O)c(C)n1CC1CCC1
InChIInChI=1S/C19H23BrN2O2/c1-12-9-17(13(2)21(12)10-15-5-4-6-15)19(24)14(3)22-11-16(20)7-8-18(22)23/h7-9,11,14-15H,4-6,10H2,1-3H3
InChIKeyYWCSWPAKUBDSIT-UHFFFAOYSA-N
XLogP4.27
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[1-[1-(cyclobutylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[1-[1-(cyclobutylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]pyridin-2-one (CID 139467221) is 5-bromo-1-[1-[1-(cyclobutylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[1-[1-(cyclobutylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[1-[1-(cyclobutylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]pyridin-2-one is Cc1cc(C(=O)C(C)n2cc(Br)ccc2=O)c(C)n1CC1CCC1.
What is the InChIKey of 5-bromo-1-[1-[1-(cyclobutylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]pyridin-2-one?
The InChIKey is YWCSWPAKUBDSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-12-9-17(13(2)21(12)10-15-5-4-6-15)19(24)14(3)22-11-16(20)7-8-18(22)23/h7-9,11,14-15H,4-6,10H2,1-3H3.
What are the key properties of 5-bromo-1-[1-[1-(cyclobutylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]pyridin-2-one?
5-bromo-1-[1-[1-(cyclobutylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]pyridin-2-one has a molecular weight of 391.31 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[1-[1-(cyclobutylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]pyridin-2-one is sourced from PubChem (CID 139467221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).