5,5-dimethyl-2,3,6,7,8,9,10,10b-octahydro-1H-pyrrolo[2,1-a]isoquinoline

C14H23N — CID 3057986

IUPAC5,5-dimethyl-2,3,6,7,8,9,10,10b-octahydro-1H-pyrrolo[2,1-a]isoquinoline
SMILESCC1(C)CC2=C(CCCC2)C2CCCN21
InChIInChI=1S/C14H23N/c1-14(2)10-11-6-3-4-7-12(11)13-8-5-9-15(13)14/h13H,3-10H2,1-2H3
InChIKeyPFXZDDSDOLXBJW-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.50
Rot. Bonds

About 5,5-dimethyl-2,3,6,7,8,9,10,10b-octahydro-1H-pyrrolo[2,1-a]isoquinoline

5,5-dimethyl-2,3,6,7,8,9,10,10b-octahydro-1H-pyrrolo[2,1-a]isoquinoline (PubChem CID 3057986) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 5,5-dimethyl-2,3,6,7,8,9,10,10b-octahydro-1H-pyrrolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5,5-dimethyl-2,3,6,7,8,9,10,10b-octahydro-1H-pyrrolo[2,1-a]isoquinoline
PubChem CID3057986
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name5,5-dimethyl-2,3,6,7,8,9,10,10b-octahydro-1H-pyrrolo[2,1-a]isoquinoline
SMILESCC1(C)CC2=C(CCCC2)C2CCCN21
InChIInChI=1S/C14H23N/c1-14(2)10-11-6-3-4-7-12(11)13-8-5-9-15(13)14/h13H,3-10H2,1-2H3
InChIKeyPFXZDDSDOLXBJW-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2,3,6,7,8,9,10,10b-octahydro-1H-pyrrolo[2,1-a]isoquinoline?
The IUPAC name of 5,5-dimethyl-2,3,6,7,8,9,10,10b-octahydro-1H-pyrrolo[2,1-a]isoquinoline (CID 3057986) is 5,5-dimethyl-2,3,6,7,8,9,10,10b-octahydro-1H-pyrrolo[2,1-a]isoquinoline.
What is the SMILES notation for 5,5-dimethyl-2,3,6,7,8,9,10,10b-octahydro-1H-pyrrolo[2,1-a]isoquinoline?
The canonical SMILES for 5,5-dimethyl-2,3,6,7,8,9,10,10b-octahydro-1H-pyrrolo[2,1-a]isoquinoline is CC1(C)CC2=C(CCCC2)C2CCCN21.
What is the InChIKey of 5,5-dimethyl-2,3,6,7,8,9,10,10b-octahydro-1H-pyrrolo[2,1-a]isoquinoline?
The InChIKey is PFXZDDSDOLXBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-14(2)10-11-6-3-4-7-12(11)13-8-5-9-15(13)14/h13H,3-10H2,1-2H3.
What are the key properties of 5,5-dimethyl-2,3,6,7,8,9,10,10b-octahydro-1H-pyrrolo[2,1-a]isoquinoline?
5,5-dimethyl-2,3,6,7,8,9,10,10b-octahydro-1H-pyrrolo[2,1-a]isoquinoline has a molecular weight of 205.34 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2,3,6,7,8,9,10,10b-octahydro-1H-pyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 3057986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).