(1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one

C13H15NO — CID 134967255

IUPAC(1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one
SMILESCCN1C(=O)[C@]2(C)C[C@@H]2c2ccccc21
InChIInChI=1S/C13H15NO/c1-3-14-11-7-5-4-6-9(11)10-8-13(10,2)12(14)15/h4-7,10H,3,8H2,1-2H3/t10-,13-/m1/s1
InChIKeyPMFLLFRFYNCMSY-ZWNOBZJWSA-N
MW201.27 g/mol
LogP2.55
Rot. Bonds1

About (1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one

(1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one (PubChem CID 134967255) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one.

Molecular Properties

Compound Name(1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one
PubChem CID134967255
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one
SMILESCCN1C(=O)[C@]2(C)C[C@@H]2c2ccccc21
InChIInChI=1S/C13H15NO/c1-3-14-11-7-5-4-6-9(11)10-8-13(10,2)12(14)15/h4-7,10H,3,8H2,1-2H3/t10-,13-/m1/s1
InChIKeyPMFLLFRFYNCMSY-ZWNOBZJWSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one?
The IUPAC name of (1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one (CID 134967255) is (1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one.
What is the SMILES notation for (1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one?
The canonical SMILES for (1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one is CCN1C(=O)[C@]2(C)C[C@@H]2c2ccccc21.
What is the InChIKey of (1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one?
The InChIKey is PMFLLFRFYNCMSY-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-14-11-7-5-4-6-9(11)10-8-13(10,2)12(14)15/h4-7,10H,3,8H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of (1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one?
(1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one has a molecular weight of 201.27 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one is sourced from PubChem (CID 134967255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).