(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone

C16H24N2O2 — CID 155876019

IUPAC(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCCC3(CCN(C)CC3)C2)o1
InChIInChI=1S/C16H24N2O2/c1-13-4-5-14(20-13)15(19)18-9-3-6-16(12-18)7-10-17(2)11-8-16/h4-5H,3,6-12H2,1-2H3
InChIKeyDCAYQWBJRHDDDX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.54
Rot. Bonds1

About (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone

(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone (PubChem CID 155876019) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone
PubChem CID155876019
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCCC3(CCN(C)CC3)C2)o1
InChIInChI=1S/C16H24N2O2/c1-13-4-5-14(20-13)15(19)18-9-3-6-16(12-18)7-10-17(2)11-8-16/h4-5H,3,6-12H2,1-2H3
InChIKeyDCAYQWBJRHDDDX-UHFFFAOYSA-N
XLogP2.54
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323265
(5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 97472086
1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one
CID 155874685
2-ethyl-8-(5-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155870146
(3aS,8aS)-2-acetyl-5-(5-methylfuran-2-carbonyl)-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid
CID 124801011
9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131653156
N-cyclopentyl-1'-(5-methylfuran-2-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide
CID 155870670
(2-fluorophenyl)-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155851704
(5R)-9-(5-methylfuran-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371973
(5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid
CID 118743875
(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 125215989
(4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95218279

Frequently Asked Questions

What is the IUPAC name of (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone (CID 155876019) is (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CCCC3(CCN(C)CC3)C2)o1.
What is the InChIKey of (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone?
The InChIKey is DCAYQWBJRHDDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-4-5-14(20-13)15(19)18-9-3-6-16(12-18)7-10-17(2)11-8-16/h4-5H,3,6-12H2,1-2H3.
What are the key properties of (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone?
(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 155876019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).