furan-2-yl-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

C17H26N2O2 — CID 3233749

IUPACfuran-2-yl-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCC(C)CN1CC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1
InChIInChI=1S/C17H26N2O2/c1-14(2)11-18-9-7-17(12-18)6-4-8-19(13-17)16(20)15-5-3-10-21-15/h3,5,10,14H,4,6-9,11-13H2,1-2H3/t17-/m0/s1
InChIKeyBDWJNYKYAPWLSB-KRWDZBQOSA-N
MW290.41 g/mol
LogP2.86
Rot. Bonds3

About furan-2-yl-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

furan-2-yl-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3233749) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is furan-2-yl-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3233749
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namefuran-2-yl-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCC(C)CN1CC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1
InChIInChI=1S/C17H26N2O2/c1-14(2)11-18-9-7-17(12-18)6-4-8-19(13-17)16(20)15-5-3-10-21-15/h3,5,10,14H,4,6-9,11-13H2,1-2H3/t17-/m0/s1
InChIKeyBDWJNYKYAPWLSB-KRWDZBQOSA-N
XLogP2.86
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of furan-2-yl-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3233749) is furan-2-yl-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for furan-2-yl-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for furan-2-yl-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is CC(C)CN1CC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1.
What is the InChIKey of furan-2-yl-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is BDWJNYKYAPWLSB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)11-18-9-7-17(12-18)6-4-8-19(13-17)16(20)15-5-3-10-21-15/h3,5,10,14H,4,6-9,11-13H2,1-2H3/t17-/m0/s1.
What are the key properties of furan-2-yl-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
furan-2-yl-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3233749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).