3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine

C18H24ClNO — CID 102902619

IUPAC3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine
SMILESClc1cccc(C2(CC3CCC4(CCCC4)O3)CNC2)c1
InChIInChI=1S/C18H24ClNO/c19-15-5-3-4-14(10-15)17(12-20-13-17)11-16-6-9-18(21-16)7-1-2-8-18/h3-5,10,16,20H,1-2,6-9,11-13H2
InChIKeySNSBMHXMIYVDKE-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.06
Rot. Bonds3

About 3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine

3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine (PubChem CID 102902619) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine
PubChem CID102902619
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine
SMILESClc1cccc(C2(CC3CCC4(CCCC4)O3)CNC2)c1
InChIInChI=1S/C18H24ClNO/c19-15-5-3-4-14(10-15)17(12-20-13-17)11-16-6-9-18(21-16)7-1-2-8-18/h3-5,10,16,20H,1-2,6-9,11-13H2
InChIKeySNSBMHXMIYVDKE-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine?
The IUPAC name of 3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine (CID 102902619) is 3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine.
What is the SMILES notation for 3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine?
The canonical SMILES for 3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine is Clc1cccc(C2(CC3CCC4(CCCC4)O3)CNC2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine?
The InChIKey is SNSBMHXMIYVDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO/c19-15-5-3-4-14(10-15)17(12-20-13-17)11-16-6-9-18(21-16)7-1-2-8-18/h3-5,10,16,20H,1-2,6-9,11-13H2.
What are the key properties of 3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine?
3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine has a molecular weight of 305.85 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine is sourced from PubChem (CID 102902619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).