7-[(4-methoxyphenyl)methyl]-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene

C15H20N2O2 — CID 134795453

IUPAC7-[(4-methoxyphenyl)methyl]-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESCOc1ccc(CN2CCC3(CC(C)=NO3)C2)cc1
InChIInChI=1S/C15H20N2O2/c1-12-9-15(19-16-12)7-8-17(11-15)10-13-3-5-14(18-2)6-4-13/h3-6H,7-11H2,1-2H3
InChIKeyMTOMDUCZUDNXSS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.44
Rot. Bonds3

About 7-[(4-methoxyphenyl)methyl]-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene

7-[(4-methoxyphenyl)methyl]-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene (PubChem CID 134795453) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methyl]-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methyl]-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene
PubChem CID134795453
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name7-[(4-methoxyphenyl)methyl]-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESCOc1ccc(CN2CCC3(CC(C)=NO3)C2)cc1
InChIInChI=1S/C15H20N2O2/c1-12-9-15(19-16-12)7-8-17(11-15)10-13-3-5-14(18-2)6-4-13/h3-6H,7-11H2,1-2H3
InChIKeyMTOMDUCZUDNXSS-UHFFFAOYSA-N
XLogP2.44
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methyl]-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The IUPAC name of 7-[(4-methoxyphenyl)methyl]-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene (CID 134795453) is 7-[(4-methoxyphenyl)methyl]-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene.
What is the SMILES notation for 7-[(4-methoxyphenyl)methyl]-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The canonical SMILES for 7-[(4-methoxyphenyl)methyl]-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene is COc1ccc(CN2CCC3(CC(C)=NO3)C2)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methyl]-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The InChIKey is MTOMDUCZUDNXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12-9-15(19-16-12)7-8-17(11-15)10-13-3-5-14(18-2)6-4-13/h3-6H,7-11H2,1-2H3.
What are the key properties of 7-[(4-methoxyphenyl)methyl]-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
7-[(4-methoxyphenyl)methyl]-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene has a molecular weight of 260.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methyl]-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene is sourced from PubChem (CID 134795453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).