3-chloro-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C14H16Cl2N2O — CID 58134942

IUPAC3-chloro-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESClC1=NOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C14H16Cl2N2O/c15-12-3-1-11(2-4-12)10-18-7-5-14(6-8-18)9-13(16)17-19-14/h1-4H,5-10H2
InChIKeyDFVFTSFCDHJPAD-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.65
Rot. Bonds2

About 3-chloro-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3-chloro-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 58134942) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 3-chloro-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-chloro-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID58134942
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name3-chloro-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESClC1=NOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C14H16Cl2N2O/c15-12-3-1-11(2-4-12)10-18-7-5-14(6-8-18)9-13(16)17-19-14/h1-4H,5-10H2
InChIKeyDFVFTSFCDHJPAD-UHFFFAOYSA-N
XLogP3.65
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-chloro-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 58134942) is 3-chloro-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-chloro-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-chloro-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is ClC1=NOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of 3-chloro-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is DFVFTSFCDHJPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c15-12-3-1-11(2-4-12)10-18-7-5-14(6-8-18)9-13(16)17-19-14/h1-4H,5-10H2.
What are the key properties of 3-chloro-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-chloro-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 299.20 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 58134942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).