[7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone

C17H20N2O3 — CID 97392927

IUPAC[7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CC2(CCN(Cc3ccoc3)C2)C1
InChIInChI=1S/C17H20N2O3/c1-13-15(3-7-22-13)16(20)19-11-17(12-19)4-5-18(10-17)8-14-2-6-21-9-14/h2-3,6-7,9H,4-5,8,10-12H2,1H3
InChIKeyOVPDVGZHWVWGPV-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.53
Rot. Bonds3

About [7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone

[7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 97392927) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is [7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
PubChem CID97392927
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name[7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CC2(CCN(Cc3ccoc3)C2)C1
InChIInChI=1S/C17H20N2O3/c1-13-15(3-7-22-13)16(20)19-11-17(12-19)4-5-18(10-17)8-14-2-6-21-9-14/h2-3,6-7,9H,4-5,8,10-12H2,1H3
InChIKeyOVPDVGZHWVWGPV-UHFFFAOYSA-N
XLogP2.53
TPSA49.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone with MolForge

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Related Compounds

(2-methylfuran-3-yl)-[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155845085
1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97472652
(2-methylfuran-3-yl)-[2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 118743472
2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97369823
[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97370057
[2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 131655788
3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid
CID 65064280
1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
CID 97412788
(3S)-2-acetyl-8-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97127460
furan-3-yl-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 26402063
(2-methylfuran-3-yl)-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155823599
4-[[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 27755791

Frequently Asked Questions

What is the IUPAC name of [7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone (CID 97392927) is [7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CC2(CCN(Cc3ccoc3)C2)C1.
What is the InChIKey of [7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is OVPDVGZHWVWGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13-15(3-7-22-13)16(20)19-11-17(12-19)4-5-18(10-17)8-14-2-6-21-9-14/h2-3,6-7,9H,4-5,8,10-12H2,1H3.
What are the key properties of [7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone?
[7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 97392927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).