2,3,4,5a,9,10,10a,10b,11,11a-decahydro-1H-indeno[1,2-b]indolizine

C15H21N — CID 3062570

IUPAC2,3,4,5a,9,10,10a,10b,11,11a-decahydro-1H-indeno[1,2-b]indolizine
SMILESC1=CC2=CC3C(CC4CCCCN43)C2CC1
InChIInChI=1S/C15H21N/c1-2-7-13-11(5-1)9-15-14(13)10-12-6-3-4-8-16(12)15/h1,5,9,12-15H,2-4,6-8,10H2
InChIKeyDKCKLZIITLGDHD-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.14
Rot. Bonds

About 2,3,4,5a,9,10,10a,10b,11,11a-decahydro-1H-indeno[1,2-b]indolizine

2,3,4,5a,9,10,10a,10b,11,11a-decahydro-1H-indeno[1,2-b]indolizine (PubChem CID 3062570) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2,3,4,5a,9,10,10a,10b,11,11a-decahydro-1H-indeno[1,2-b]indolizine.

Molecular Properties

Compound Name2,3,4,5a,9,10,10a,10b,11,11a-decahydro-1H-indeno[1,2-b]indolizine
PubChem CID3062570
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2,3,4,5a,9,10,10a,10b,11,11a-decahydro-1H-indeno[1,2-b]indolizine
SMILESC1=CC2=CC3C(CC4CCCCN43)C2CC1
InChIInChI=1S/C15H21N/c1-2-7-13-11(5-1)9-15-14(13)10-12-6-3-4-8-16(12)15/h1,5,9,12-15H,2-4,6-8,10H2
InChIKeyDKCKLZIITLGDHD-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5a,9,10,10a,10b,11,11a-decahydro-1H-indeno[1,2-b]indolizine?
The IUPAC name of 2,3,4,5a,9,10,10a,10b,11,11a-decahydro-1H-indeno[1,2-b]indolizine (CID 3062570) is 2,3,4,5a,9,10,10a,10b,11,11a-decahydro-1H-indeno[1,2-b]indolizine.
What is the SMILES notation for 2,3,4,5a,9,10,10a,10b,11,11a-decahydro-1H-indeno[1,2-b]indolizine?
The canonical SMILES for 2,3,4,5a,9,10,10a,10b,11,11a-decahydro-1H-indeno[1,2-b]indolizine is C1=CC2=CC3C(CC4CCCCN43)C2CC1.
What is the InChIKey of 2,3,4,5a,9,10,10a,10b,11,11a-decahydro-1H-indeno[1,2-b]indolizine?
The InChIKey is DKCKLZIITLGDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-2-7-13-11(5-1)9-15-14(13)10-12-6-3-4-8-16(12)15/h1,5,9,12-15H,2-4,6-8,10H2.
What are the key properties of 2,3,4,5a,9,10,10a,10b,11,11a-decahydro-1H-indeno[1,2-b]indolizine?
2,3,4,5a,9,10,10a,10b,11,11a-decahydro-1H-indeno[1,2-b]indolizine has a molecular weight of 215.34 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5a,9,10,10a,10b,11,11a-decahydro-1H-indeno[1,2-b]indolizine is sourced from PubChem (CID 3062570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).