(3aS,4aR,8aS)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione

C18H26N2O4 — CID 99781524

IUPAC(3aS,4aR,8aS)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
SMILESO=C1[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)N1C1CCC2(CC1)OCCO2
InChIInChI=1S/C18H26N2O4/c21-16-15-11-12-3-1-2-4-14(12)20(15)17(22)19(16)13-5-7-18(8-6-13)23-9-10-24-18/h12-15H,1-11H2/t12-,14+,15+/m1/s1
InChIKeyZWCWBHHQAPMILR-SNPRPXQTSA-N
MW334.42 g/mol
LogP2.27
Rot. Bonds1

About (3aS,4aR,8aS)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione

(3aS,4aR,8aS)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione (PubChem CID 99781524) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (3aS,4aR,8aS)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione.

Molecular Properties

Compound Name(3aS,4aR,8aS)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
PubChem CID99781524
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(3aS,4aR,8aS)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
SMILESO=C1[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)N1C1CCC2(CC1)OCCO2
InChIInChI=1S/C18H26N2O4/c21-16-15-11-12-3-1-2-4-14(12)20(15)17(22)19(16)13-5-7-18(8-6-13)23-9-10-24-18/h12-15H,1-11H2/t12-,14+,15+/m1/s1
InChIKeyZWCWBHHQAPMILR-SNPRPXQTSA-N
XLogP2.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3aS,4aR,8aS)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione with MolForge

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Related Compounds

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CID 124864761
spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane]
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CID 95157303
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CID 59541137
7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
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(3aS,4aR,8aR)-2-(1H-pyrazol-5-ylmethyl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of (3aS,4aR,8aS)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione?
The IUPAC name of (3aS,4aR,8aS)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione (CID 99781524) is (3aS,4aR,8aS)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione.
What is the SMILES notation for (3aS,4aR,8aS)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione?
The canonical SMILES for (3aS,4aR,8aS)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione is O=C1[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)N1C1CCC2(CC1)OCCO2.
What is the InChIKey of (3aS,4aR,8aS)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione?
The InChIKey is ZWCWBHHQAPMILR-SNPRPXQTSA-N. The full InChI is InChI=1S/C18H26N2O4/c21-16-15-11-12-3-1-2-4-14(12)20(15)17(22)19(16)13-5-7-18(8-6-13)23-9-10-24-18/h12-15H,1-11H2/t12-,14+,15+/m1/s1.
What are the key properties of (3aS,4aR,8aS)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione?
(3aS,4aR,8aS)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione has a molecular weight of 334.42 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4aR,8aS)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione is sourced from PubChem (CID 99781524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).