(2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol

C10H17NO — CID 82413598

IUPAC(2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol
SMILESOC1CCN2C[C@H]3CC[C@H]3C2C1
InChIInChI=1S/C10H17NO/c12-8-3-4-11-6-7-1-2-9(7)10(11)5-8/h7-10,12H,1-6H2/t7-,8?,9-,10?/m1/s1
InChIKeyVYMMYTPLNCJZNX-PRWFHZCQSA-N
MW167.25 g/mol
LogP0.85
Rot. Bonds

About (2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol

(2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol (PubChem CID 82413598) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol.

Molecular Properties

Compound Name(2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol
PubChem CID82413598
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol
SMILESOC1CCN2C[C@H]3CC[C@H]3C2C1
InChIInChI=1S/C10H17NO/c12-8-3-4-11-6-7-1-2-9(7)10(11)5-8/h7-10,12H,1-6H2/t7-,8?,9-,10?/m1/s1
InChIKeyVYMMYTPLNCJZNX-PRWFHZCQSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 67281324
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Frequently Asked Questions

What is the IUPAC name of (2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol?
The IUPAC name of (2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol (CID 82413598) is (2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol.
What is the SMILES notation for (2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol?
The canonical SMILES for (2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol is OC1CCN2C[C@H]3CC[C@H]3C2C1.
What is the InChIKey of (2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol?
The InChIKey is VYMMYTPLNCJZNX-PRWFHZCQSA-N. The full InChI is InChI=1S/C10H17NO/c12-8-3-4-11-6-7-1-2-9(7)10(11)5-8/h7-10,12H,1-6H2/t7-,8?,9-,10?/m1/s1.
What are the key properties of (2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol?
(2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol has a molecular weight of 167.25 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol is sourced from PubChem (CID 82413598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).