2-(2-chlorophenyl)-8-(furan-3-carbonyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one

C17H17ClN4O3 — CID 91890990

IUPAC2-(2-chlorophenyl)-8-(furan-3-carbonyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one
SMILESO=C(c1ccoc1)N1CCC2(CC1)NC(=O)N(c1ccccc1Cl)N2
InChIInChI=1S/C17H17ClN4O3/c18-13-3-1-2-4-14(13)22-16(24)19-17(20-22)6-8-21(9-7-17)15(23)12-5-10-25-11-12/h1-5,10-11,20H,6-9H2,(H,19,24)
InChIKeyBMMAGPLSQPUROY-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.60
Rot. Bonds2

About 2-(2-chlorophenyl)-8-(furan-3-carbonyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one

2-(2-chlorophenyl)-8-(furan-3-carbonyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one (PubChem CID 91890990) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-8-(furan-3-carbonyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-8-(furan-3-carbonyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one
PubChem CID91890990
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name2-(2-chlorophenyl)-8-(furan-3-carbonyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one
SMILESO=C(c1ccoc1)N1CCC2(CC1)NC(=O)N(c1ccccc1Cl)N2
InChIInChI=1S/C17H17ClN4O3/c18-13-3-1-2-4-14(13)22-16(24)19-17(20-22)6-8-21(9-7-17)15(23)12-5-10-25-11-12/h1-5,10-11,20H,6-9H2,(H,19,24)
InChIKeyBMMAGPLSQPUROY-UHFFFAOYSA-N
XLogP2.60
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one
CID 91890998
2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 32528222
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 32532166
4-(furan-3-carbonyl)piperazine-2,6-dione
CID 66083593
2-[4-(furan-3-carbonyl)piperazine-1-carbonyl]fluoren-9-one
CID 32534624
9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131645770
(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
CID 32530613
furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 84592483
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 55670626
8-(3-fluoro-4-methoxybenzoyl)-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one
CID 91890943
1-(2-fluorophenyl)-4-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43060556

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-8-(furan-3-carbonyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(2-chlorophenyl)-8-(furan-3-carbonyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one (CID 91890990) is 2-(2-chlorophenyl)-8-(furan-3-carbonyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(2-chlorophenyl)-8-(furan-3-carbonyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(2-chlorophenyl)-8-(furan-3-carbonyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one is O=C(c1ccoc1)N1CCC2(CC1)NC(=O)N(c1ccccc1Cl)N2.
What is the InChIKey of 2-(2-chlorophenyl)-8-(furan-3-carbonyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The InChIKey is BMMAGPLSQPUROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3/c18-13-3-1-2-4-14(13)22-16(24)19-17(20-22)6-8-21(9-7-17)15(23)12-5-10-25-11-12/h1-5,10-11,20H,6-9H2,(H,19,24).
What are the key properties of 2-(2-chlorophenyl)-8-(furan-3-carbonyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
2-(2-chlorophenyl)-8-(furan-3-carbonyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one has a molecular weight of 360.80 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-8-(furan-3-carbonyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91890990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).