(3aR,4aS,9aS)-2,3,3a,4,4a,5,6,7,9,9a-decahydrofuro[2,3-f]indolizine

C10H17NO — CID 11457897

IUPAC(3aR,4aS,9aS)-2,3,3a,4,4a,5,6,7,9,9a-decahydrofuro[2,3-f]indolizine
SMILESC1C[C@H]2C[C@@H]3CCO[C@@H]3CN2C1
InChIInChI=1S/C10H17NO/c1-2-9-6-8-3-5-12-10(8)7-11(9)4-1/h8-10H,1-7H2/t8-,9-,10+/m0/s1
InChIKeyRZKYMAJCTOIZKD-LPEHRKFASA-N
MW167.25 g/mol
LogP1.26
Rot. Bonds

About (3aR,4aS,9aS)-2,3,3a,4,4a,5,6,7,9,9a-decahydrofuro[2,3-f]indolizine

(3aR,4aS,9aS)-2,3,3a,4,4a,5,6,7,9,9a-decahydrofuro[2,3-f]indolizine (PubChem CID 11457897) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3aR,4aS,9aS)-2,3,3a,4,4a,5,6,7,9,9a-decahydrofuro[2,3-f]indolizine.

Molecular Properties

Compound Name(3aR,4aS,9aS)-2,3,3a,4,4a,5,6,7,9,9a-decahydrofuro[2,3-f]indolizine
PubChem CID11457897
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3aR,4aS,9aS)-2,3,3a,4,4a,5,6,7,9,9a-decahydrofuro[2,3-f]indolizine
SMILESC1C[C@H]2C[C@@H]3CCO[C@@H]3CN2C1
InChIInChI=1S/C10H17NO/c1-2-9-6-8-3-5-12-10(8)7-11(9)4-1/h8-10H,1-7H2/t8-,9-,10+/m0/s1
InChIKeyRZKYMAJCTOIZKD-LPEHRKFASA-N
XLogP1.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,4aS,9aS)-2,3,3a,4,4a,5,6,7,9,9a-decahydrofuro[2,3-f]indolizine?
The IUPAC name of (3aR,4aS,9aS)-2,3,3a,4,4a,5,6,7,9,9a-decahydrofuro[2,3-f]indolizine (CID 11457897) is (3aR,4aS,9aS)-2,3,3a,4,4a,5,6,7,9,9a-decahydrofuro[2,3-f]indolizine.
What is the SMILES notation for (3aR,4aS,9aS)-2,3,3a,4,4a,5,6,7,9,9a-decahydrofuro[2,3-f]indolizine?
The canonical SMILES for (3aR,4aS,9aS)-2,3,3a,4,4a,5,6,7,9,9a-decahydrofuro[2,3-f]indolizine is C1C[C@H]2C[C@@H]3CCO[C@@H]3CN2C1.
What is the InChIKey of (3aR,4aS,9aS)-2,3,3a,4,4a,5,6,7,9,9a-decahydrofuro[2,3-f]indolizine?
The InChIKey is RZKYMAJCTOIZKD-LPEHRKFASA-N. The full InChI is InChI=1S/C10H17NO/c1-2-9-6-8-3-5-12-10(8)7-11(9)4-1/h8-10H,1-7H2/t8-,9-,10+/m0/s1.
What are the key properties of (3aR,4aS,9aS)-2,3,3a,4,4a,5,6,7,9,9a-decahydrofuro[2,3-f]indolizine?
(3aR,4aS,9aS)-2,3,3a,4,4a,5,6,7,9,9a-decahydrofuro[2,3-f]indolizine has a molecular weight of 167.25 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4aS,9aS)-2,3,3a,4,4a,5,6,7,9,9a-decahydrofuro[2,3-f]indolizine is sourced from PubChem (CID 11457897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).