(5S)-9-(furan-3-ylmethyl)-5-methyl-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H24N2O3 — CID 97384765

IUPAC(5S)-9-(furan-3-ylmethyl)-5-methyl-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1C(=O)COC2(CCN(Cc3ccoc3)CC2)[C@@H]1C
InChIInChI=1S/C17H24N2O3/c1-3-7-19-14(2)17(22-13-16(19)20)5-8-18(9-6-17)11-15-4-10-21-12-15/h3-4,10,12,14H,1,5-9,11,13H2,2H3/t14-/m0/s1
InChIKeyLZVBJHZXCGDFSX-AWEZNQCLSA-N
MW304.39 g/mol
LogP2.05
Rot. Bonds4

About (5S)-9-(furan-3-ylmethyl)-5-methyl-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

(5S)-9-(furan-3-ylmethyl)-5-methyl-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97384765) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (5S)-9-(furan-3-ylmethyl)-5-methyl-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(5S)-9-(furan-3-ylmethyl)-5-methyl-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97384765
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(5S)-9-(furan-3-ylmethyl)-5-methyl-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1C(=O)COC2(CCN(Cc3ccoc3)CC2)[C@@H]1C
InChIInChI=1S/C17H24N2O3/c1-3-7-19-14(2)17(22-13-16(19)20)5-8-18(9-6-17)11-15-4-10-21-12-15/h3-4,10,12,14H,1,5-9,11,13H2,2H3/t14-/m0/s1
InChIKeyLZVBJHZXCGDFSX-AWEZNQCLSA-N
XLogP2.05
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-9-(furan-3-ylmethyl)-5-methyl-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (5S)-9-(furan-3-ylmethyl)-5-methyl-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97384765) is (5S)-9-(furan-3-ylmethyl)-5-methyl-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (5S)-9-(furan-3-ylmethyl)-5-methyl-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (5S)-9-(furan-3-ylmethyl)-5-methyl-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is C=CCN1C(=O)COC2(CCN(Cc3ccoc3)CC2)[C@@H]1C.
What is the InChIKey of (5S)-9-(furan-3-ylmethyl)-5-methyl-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LZVBJHZXCGDFSX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-7-19-14(2)17(22-13-16(19)20)5-8-18(9-6-17)11-15-4-10-21-12-15/h3-4,10,12,14H,1,5-9,11,13H2,2H3/t14-/m0/s1.
What are the key properties of (5S)-9-(furan-3-ylmethyl)-5-methyl-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(5S)-9-(furan-3-ylmethyl)-5-methyl-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 304.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(furan-3-ylmethyl)-5-methyl-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97384765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).