5-bromo-4-methyl-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one

C11H10BrNO — CID 169499141

IUPAC5-bromo-4-methyl-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
SMILESCc1c(Br)ccc2c1NC(=O)C1CC21
InChIInChI=1S/C11H10BrNO/c1-5-9(12)3-2-6-7-4-8(7)11(14)13-10(5)6/h2-3,7-8H,4H2,1H3,(H,13,14)
InChIKeyNTIZLQNQJAWRHM-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.81
Rot. Bonds

About 5-bromo-4-methyl-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one

5-bromo-4-methyl-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one (PubChem CID 169499141) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 5-bromo-4-methyl-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one.

Molecular Properties

Compound Name5-bromo-4-methyl-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
PubChem CID169499141
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name5-bromo-4-methyl-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
SMILESCc1c(Br)ccc2c1NC(=O)C1CC21
InChIInChI=1S/C11H10BrNO/c1-5-9(12)3-2-6-7-4-8(7)11(14)13-10(5)6/h2-3,7-8H,4H2,1H3,(H,13,14)
InChIKeyNTIZLQNQJAWRHM-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one?
The IUPAC name of 5-bromo-4-methyl-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one (CID 169499141) is 5-bromo-4-methyl-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one.
What is the SMILES notation for 5-bromo-4-methyl-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one?
The canonical SMILES for 5-bromo-4-methyl-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one is Cc1c(Br)ccc2c1NC(=O)C1CC21.
What is the InChIKey of 5-bromo-4-methyl-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one?
The InChIKey is NTIZLQNQJAWRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-5-9(12)3-2-6-7-4-8(7)11(14)13-10(5)6/h2-3,7-8H,4H2,1H3,(H,13,14).
What are the key properties of 5-bromo-4-methyl-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one?
5-bromo-4-methyl-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one has a molecular weight of 252.11 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one is sourced from PubChem (CID 169499141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).