(3aS,6aR)-3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole

C10H17NO3 — CID 58149483

IUPAC(3aS,6aR)-3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole
SMILESC=C1CN(C)[C@H]2[C@@H]1OCC2(OC)OC
InChIInChI=1S/C10H17NO3/c1-7-5-11(2)9-8(7)14-6-10(9,12-3)13-4/h8-9H,1,5-6H2,2-4H3/t8-,9+/m1/s1
InChIKeyVXIPOFPRDADGKW-BDAKNGLRSA-N
MW199.25 g/mol
LogP0.24
Rot. Bonds2

About (3aS,6aR)-3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole

(3aS,6aR)-3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole (PubChem CID 58149483) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (3aS,6aR)-3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole
PubChem CID58149483
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(3aS,6aR)-3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole
SMILESC=C1CN(C)[C@H]2[C@@H]1OCC2(OC)OC
InChIInChI=1S/C10H17NO3/c1-7-5-11(2)9-8(7)14-6-10(9,12-3)13-4/h8-9H,1,5-6H2,2-4H3/t8-,9+/m1/s1
InChIKeyVXIPOFPRDADGKW-BDAKNGLRSA-N
XLogP0.24
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole?
The IUPAC name of (3aS,6aR)-3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole (CID 58149483) is (3aS,6aR)-3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole.
What is the SMILES notation for (3aS,6aR)-3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole?
The canonical SMILES for (3aS,6aR)-3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole is C=C1CN(C)[C@H]2[C@@H]1OCC2(OC)OC.
What is the InChIKey of (3aS,6aR)-3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole?
The InChIKey is VXIPOFPRDADGKW-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-5-11(2)9-8(7)14-6-10(9,12-3)13-4/h8-9H,1,5-6H2,2-4H3/t8-,9+/m1/s1.
What are the key properties of (3aS,6aR)-3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole?
(3aS,6aR)-3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole has a molecular weight of 199.25 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole is sourced from PubChem (CID 58149483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).