6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C18H19Cl2NO3 — CID 119175706

IUPAC6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C1CC1c1cc(Cl)cc(Cl)c1)CC2
InChIInChI=1S/C18H19Cl2NO3/c19-11-5-10(6-12(20)7-11)13-8-14(13)16(22)21-3-1-18(2-4-21)9-15(18)17(23)24/h5-7,13-15H,1-4,8-9H2,(H,23,24)
InChIKeyHYHXRYMSXKKVKO-UHFFFAOYSA-N
MW368.26 g/mol
LogP3.81
Rot. Bonds3

About 6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119175706) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is 6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119175706
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC Name6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C1CC1c1cc(Cl)cc(Cl)c1)CC2
InChIInChI=1S/C18H19Cl2NO3/c19-11-5-10(6-12(20)7-11)13-8-14(13)16(22)21-3-1-18(2-4-21)9-15(18)17(23)24/h5-7,13-15H,1-4,8-9H2,(H,23,24)
InChIKeyHYHXRYMSXKKVKO-UHFFFAOYSA-N
XLogP3.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119175706) is 6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)C1CC1c1cc(Cl)cc(Cl)c1)CC2.
What is the InChIKey of 6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is HYHXRYMSXKKVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c19-11-5-10(6-12(20)7-11)13-8-14(13)16(22)21-3-1-18(2-4-21)9-15(18)17(23)24/h5-7,13-15H,1-4,8-9H2,(H,23,24).
What are the key properties of 6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 368.26 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119175706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).