(3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-phenylmethanone

C15H18N2O2 — CID 134797168

IUPAC(3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-phenylmethanone
SMILESCC1=NOC2(CCN(C(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C15H18N2O2/c1-12-11-15(19-16-12)7-9-17(10-8-15)14(18)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
InChIKeyNSGQWCRCAFTIOA-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.46
Rot. Bonds1

About (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-phenylmethanone

(3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-phenylmethanone (PubChem CID 134797168) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-phenylmethanone
PubChem CID134797168
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-phenylmethanone
SMILESCC1=NOC2(CCN(C(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C15H18N2O2/c1-12-11-15(19-16-12)7-9-17(10-8-15)14(18)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
InChIKeyNSGQWCRCAFTIOA-UHFFFAOYSA-N
XLogP2.46
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-phenylmethanone?
The IUPAC name of (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-phenylmethanone (CID 134797168) is (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-phenylmethanone.
What is the SMILES notation for (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-phenylmethanone?
The canonical SMILES for (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-phenylmethanone is CC1=NOC2(CCN(C(=O)c3ccccc3)CC2)C1.
What is the InChIKey of (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-phenylmethanone?
The InChIKey is NSGQWCRCAFTIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-12-11-15(19-16-12)7-9-17(10-8-15)14(18)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3.
What are the key properties of (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-phenylmethanone?
(3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-phenylmethanone has a molecular weight of 258.32 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-phenylmethanone is sourced from PubChem (CID 134797168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).