3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione

C15H24N2O3 — CID 102901716

IUPAC3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione
SMILESCC1NC(=O)CCN(CC2CCC3(CCCC3)O2)C1=O
InChIInChI=1S/C15H24N2O3/c1-11-14(19)17(9-5-13(18)16-11)10-12-4-8-15(20-12)6-2-3-7-15/h11-12H,2-10H2,1H3,(H,16,18)
InChIKeyZRFSETIZCJKPKN-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.22
Rot. Bonds2

About 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione

3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione (PubChem CID 102901716) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione
PubChem CID102901716
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione
SMILESCC1NC(=O)CCN(CC2CCC3(CCCC3)O2)C1=O
InChIInChI=1S/C15H24N2O3/c1-11-14(19)17(9-5-13(18)16-11)10-12-4-8-15(20-12)6-2-3-7-15/h11-12H,2-10H2,1H3,(H,16,18)
InChIKeyZRFSETIZCJKPKN-UHFFFAOYSA-N
XLogP1.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione (CID 102901716) is 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione is CC1NC(=O)CCN(CC2CCC3(CCCC3)O2)C1=O.
What is the InChIKey of 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione?
The InChIKey is ZRFSETIZCJKPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11-14(19)17(9-5-13(18)16-11)10-12-4-8-15(20-12)6-2-3-7-15/h11-12H,2-10H2,1H3,(H,16,18).
What are the key properties of 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione?
3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione has a molecular weight of 280.37 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 102901716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).