1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone

C15H17Cl2NO — CID 3090974

IUPAC1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone
SMILESCC(=O)N1c2ccccc2C2(C)C(C1(C)C)C2(Cl)Cl
InChIInChI=1S/C15H17Cl2NO/c1-9(19)18-11-8-6-5-7-10(11)14(4)12(13(18,2)3)15(14,16)17/h5-8,12H,1-4H3
InChIKeySLIIAUTXRQDXIK-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.89
Rot. Bonds

About 1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone

1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone (PubChem CID 3090974) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone
PubChem CID3090974
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone
SMILESCC(=O)N1c2ccccc2C2(C)C(C1(C)C)C2(Cl)Cl
InChIInChI=1S/C15H17Cl2NO/c1-9(19)18-11-8-6-5-7-10(11)14(4)12(13(18,2)3)15(14,16)17/h5-8,12H,1-4H3
InChIKeySLIIAUTXRQDXIK-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone?
The IUPAC name of 1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone (CID 3090974) is 1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone.
What is the SMILES notation for 1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone?
The canonical SMILES for 1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone is CC(=O)N1c2ccccc2C2(C)C(C1(C)C)C2(Cl)Cl.
What is the InChIKey of 1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone?
The InChIKey is SLIIAUTXRQDXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c1-9(19)18-11-8-6-5-7-10(11)14(4)12(13(18,2)3)15(14,16)17/h5-8,12H,1-4H3.
What are the key properties of 1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone?
1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone has a molecular weight of 298.21 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone is sourced from PubChem (CID 3090974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).