1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde

C14H15Cl2NO — CID 3756373

IUPAC1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde
SMILESCC1(C)C2C(Cl)(Cl)C2(C)c2ccccc2N1C=O
InChIInChI=1S/C14H15Cl2NO/c1-12(2)11-13(3,14(11,15)16)9-6-4-5-7-10(9)17(12)8-18/h4-8,11H,1-3H3
InChIKeyZIIPOTCZHKXENU-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.50
Rot. Bonds1

About 1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde

1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde (PubChem CID 3756373) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is 1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde.

Molecular Properties

Compound Name1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde
PubChem CID3756373
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde
SMILESCC1(C)C2C(Cl)(Cl)C2(C)c2ccccc2N1C=O
InChIInChI=1S/C14H15Cl2NO/c1-12(2)11-13(3,14(11,15)16)9-6-4-5-7-10(9)17(12)8-18/h4-8,11H,1-3H3
InChIKeyZIIPOTCZHKXENU-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde?
The IUPAC name of 1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde (CID 3756373) is 1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde.
What is the SMILES notation for 1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde?
The canonical SMILES for 1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde is CC1(C)C2C(Cl)(Cl)C2(C)c2ccccc2N1C=O.
What is the InChIKey of 1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde?
The InChIKey is ZIIPOTCZHKXENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c1-12(2)11-13(3,14(11,15)16)9-6-4-5-7-10(9)17(12)8-18/h4-8,11H,1-3H3.
What are the key properties of 1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde?
1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde has a molecular weight of 284.19 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde is sourced from PubChem (CID 3756373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).