1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone

C14H18N2O3 — CID 97472652

IUPAC1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone
SMILESCC(=O)N1CCC2(C1)CN(C(=O)c1ccoc1C)C2
InChIInChI=1S/C14H18N2O3/c1-10-12(3-6-19-10)13(18)16-8-14(9-16)4-5-15(7-14)11(2)17/h3,6H,4-5,7-9H2,1-2H3
InChIKeyKSTHQTZNULGQBY-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.28
Rot. Bonds1

About 1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone

1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone (PubChem CID 97472652) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone
PubChem CID97472652
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone
SMILESCC(=O)N1CCC2(C1)CN(C(=O)c1ccoc1C)C2
InChIInChI=1S/C14H18N2O3/c1-10-12(3-6-19-10)13(18)16-8-14(9-16)4-5-15(7-14)11(2)17/h3,6H,4-5,7-9H2,1-2H3
InChIKeyKSTHQTZNULGQBY-UHFFFAOYSA-N
XLogP1.28
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
CID 97392927
(2-methylfuran-3-yl)-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97449506
(2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 97450408
(2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 118743905
(2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
CID 97451253
(2-methylfuran-3-yl)-[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155845085
(3aR,6aR)-2-acetyl-N,N-dimethyl-1'-(2-methylfuran-3-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
CID 124804870
1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472729
(5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373416
(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
CID 63105467
2,2-dimethyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021630
(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024442

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
The IUPAC name of 1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone (CID 97472652) is 1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone.
What is the SMILES notation for 1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
The canonical SMILES for 1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone is CC(=O)N1CCC2(C1)CN(C(=O)c1ccoc1C)C2.
What is the InChIKey of 1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
The InChIKey is KSTHQTZNULGQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-12(3-6-19-10)13(18)16-8-14(9-16)4-5-15(7-14)11(2)17/h3,6H,4-5,7-9H2,1-2H3.
What are the key properties of 1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone has a molecular weight of 262.31 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone is sourced from PubChem (CID 97472652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).