(6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one

C16H24N2O2 — CID 97373223

IUPAC(6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
SMILESCc1ccc(CN2CCC[C@]3(CCCC(=O)N3C)C2)o1
InChIInChI=1S/C16H24N2O2/c1-13-6-7-14(20-13)11-18-10-4-9-16(12-18)8-3-5-15(19)17(16)2/h6-7H,3-5,8-12H2,1-2H3/t16-/m1/s1
InChIKeyWWHDQHNEDJQHQT-MRXNPFEDSA-N
MW276.38 g/mol
LogP2.56
Rot. Bonds2

About (6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one

(6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 97373223) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID97373223
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
SMILESCc1ccc(CN2CCC[C@]3(CCCC(=O)N3C)C2)o1
InChIInChI=1S/C16H24N2O2/c1-13-6-7-14(20-13)11-18-10-4-9-16(12-18)8-3-5-15(19)17(16)2/h6-7H,3-5,8-12H2,1-2H3/t16-/m1/s1
InChIKeyWWHDQHNEDJQHQT-MRXNPFEDSA-N
XLogP2.56
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one with MolForge

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Related Compounds

(5R)-1-ethyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97370892
(5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 97482941
1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131663353
(6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 97373220
1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-1-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155847726
(5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
CID 97375553
1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134078825
1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione
CID 16762249
(5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373683
9-[(5-methylfuran-2-yl)methyl]-2-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131644646
(1S)-2-methyl-7-[(5-methylfuran-2-yl)methyl]-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 97415576
4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 55179307

Frequently Asked Questions

What is the IUPAC name of (6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one (CID 97373223) is (6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one is Cc1ccc(CN2CCC[C@]3(CCCC(=O)N3C)C2)o1.
What is the InChIKey of (6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is WWHDQHNEDJQHQT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-6-7-14(20-13)11-18-10-4-9-16(12-18)8-3-5-15(19)17(16)2/h6-7H,3-5,8-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one?
(6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97373223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).