(5S)-10-acetyl-7-(furan-2-ylmethyl)-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one

C16H23N3O3 — CID 97360063

IUPAC(5S)-10-acetyl-7-(furan-2-ylmethyl)-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCC(=O)N1CCN(Cc2ccco2)C[C@]2(CC(=O)N(C)C2)C1
InChIInChI=1S/C16H23N3O3/c1-13(20)19-6-5-18(9-14-4-3-7-22-14)11-16(12-19)8-15(21)17(2)10-16/h3-4,7H,5-6,8-12H2,1-2H3/t16-/m1/s1
InChIKeySOHQZAZXBMEKTL-MRXNPFEDSA-N
MW305.38 g/mol
LogP0.79
Rot. Bonds2

About (5S)-10-acetyl-7-(furan-2-ylmethyl)-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one

(5S)-10-acetyl-7-(furan-2-ylmethyl)-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one (PubChem CID 97360063) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (5S)-10-acetyl-7-(furan-2-ylmethyl)-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name(5S)-10-acetyl-7-(furan-2-ylmethyl)-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one
PubChem CID97360063
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(5S)-10-acetyl-7-(furan-2-ylmethyl)-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCC(=O)N1CCN(Cc2ccco2)C[C@]2(CC(=O)N(C)C2)C1
InChIInChI=1S/C16H23N3O3/c1-13(20)19-6-5-18(9-14-4-3-7-22-14)11-16(12-19)8-15(21)17(2)10-16/h3-4,7H,5-6,8-12H2,1-2H3/t16-/m1/s1
InChIKeySOHQZAZXBMEKTL-MRXNPFEDSA-N
XLogP0.79
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360161
(5R)-2-ethyl-10-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360197
(5S)-10-acetyl-2-methyl-7-[(5-methylthiophen-2-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360072
(5S)-10-acetyl-2-methyl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360069
(5S)-7-acetyl-2-methyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438969
1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665
2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
(5S)-7-acetyl-2-methyl-10-(3-methylbutanoyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97438966
2-methyl-7-[(5-methylthiophen-2-yl)methyl]-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 131647679
7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131640237
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 113073906

Frequently Asked Questions

What is the IUPAC name of (5S)-10-acetyl-7-(furan-2-ylmethyl)-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one?
The IUPAC name of (5S)-10-acetyl-7-(furan-2-ylmethyl)-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one (CID 97360063) is (5S)-10-acetyl-7-(furan-2-ylmethyl)-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one.
What is the SMILES notation for (5S)-10-acetyl-7-(furan-2-ylmethyl)-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one?
The canonical SMILES for (5S)-10-acetyl-7-(furan-2-ylmethyl)-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one is CC(=O)N1CCN(Cc2ccco2)C[C@]2(CC(=O)N(C)C2)C1.
What is the InChIKey of (5S)-10-acetyl-7-(furan-2-ylmethyl)-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one?
The InChIKey is SOHQZAZXBMEKTL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-13(20)19-6-5-18(9-14-4-3-7-22-14)11-16(12-19)8-15(21)17(2)10-16/h3-4,7H,5-6,8-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (5S)-10-acetyl-7-(furan-2-ylmethyl)-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one?
(5S)-10-acetyl-7-(furan-2-ylmethyl)-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one has a molecular weight of 305.38 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-10-acetyl-7-(furan-2-ylmethyl)-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 97360063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).