1,2,2a,3,4,4a,5,6,7,8-decahydroindeno[7a,1-b]azete

C10H17N — CID 144979042

IUPAC1,2,2a,3,4,4a,5,6,7,8-decahydroindeno[7a,1-b]azete
SMILESC1CCC23NCC2CCC3C1
InChIInChI=1S/C10H17N/c1-2-6-10-8(3-1)4-5-9(10)7-11-10/h8-9,11H,1-7H2
InChIKeyUVPORWDLNWYWSY-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.93
Rot. Bonds

About 1,2,2a,3,4,4a,5,6,7,8-decahydroindeno[7a,1-b]azete

1,2,2a,3,4,4a,5,6,7,8-decahydroindeno[7a,1-b]azete (PubChem CID 144979042) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1,2,2a,3,4,4a,5,6,7,8-decahydroindeno[7a,1-b]azete.

Molecular Properties

Compound Name1,2,2a,3,4,4a,5,6,7,8-decahydroindeno[7a,1-b]azete
PubChem CID144979042
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1,2,2a,3,4,4a,5,6,7,8-decahydroindeno[7a,1-b]azete
SMILESC1CCC23NCC2CCC3C1
InChIInChI=1S/C10H17N/c1-2-6-10-8(3-1)4-5-9(10)7-11-10/h8-9,11H,1-7H2
InChIKeyUVPORWDLNWYWSY-UHFFFAOYSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2a,3,4,4a,5,6,7,8-decahydroindeno[7a,1-b]azete?
The IUPAC name of 1,2,2a,3,4,4a,5,6,7,8-decahydroindeno[7a,1-b]azete (CID 144979042) is 1,2,2a,3,4,4a,5,6,7,8-decahydroindeno[7a,1-b]azete.
What is the SMILES notation for 1,2,2a,3,4,4a,5,6,7,8-decahydroindeno[7a,1-b]azete?
The canonical SMILES for 1,2,2a,3,4,4a,5,6,7,8-decahydroindeno[7a,1-b]azete is C1CCC23NCC2CCC3C1.
What is the InChIKey of 1,2,2a,3,4,4a,5,6,7,8-decahydroindeno[7a,1-b]azete?
The InChIKey is UVPORWDLNWYWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-6-10-8(3-1)4-5-9(10)7-11-10/h8-9,11H,1-7H2.
What are the key properties of 1,2,2a,3,4,4a,5,6,7,8-decahydroindeno[7a,1-b]azete?
1,2,2a,3,4,4a,5,6,7,8-decahydroindeno[7a,1-b]azete has a molecular weight of 151.25 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2a,3,4,4a,5,6,7,8-decahydroindeno[7a,1-b]azete is sourced from PubChem (CID 144979042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).