(4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole

C9H17NO2 — CID 129088215

IUPAC(4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
SMILESCC(C)N1C[C@@H]2OCCO[C@H]2C1
InChIInChI=1S/C9H17NO2/c1-7(2)10-5-8-9(6-10)12-4-3-11-8/h7-9H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyZAISEAPZZXKZSN-IUCAKERBSA-N
MW171.24 g/mol
LogP0.49
Rot. Bonds1

About (4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole

(4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole (PubChem CID 129088215) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole.

Molecular Properties

Compound Name(4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
PubChem CID129088215
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
SMILESCC(C)N1C[C@@H]2OCCO[C@H]2C1
InChIInChI=1S/C9H17NO2/c1-7(2)10-5-8-9(6-10)12-4-3-11-8/h7-9H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyZAISEAPZZXKZSN-IUCAKERBSA-N
XLogP0.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole?
The IUPAC name of (4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole (CID 129088215) is (4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole.
What is the SMILES notation for (4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole?
The canonical SMILES for (4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole is CC(C)N1C[C@@H]2OCCO[C@H]2C1.
What is the InChIKey of (4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole?
The InChIKey is ZAISEAPZZXKZSN-IUCAKERBSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)10-5-8-9(6-10)12-4-3-11-8/h7-9H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole?
(4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole has a molecular weight of 171.24 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole is sourced from PubChem (CID 129088215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).