6,7-dimethylidene-2,3,5,8-tetrahydro-1H-pyrrolizine

C9H13N — CID 24973599

IUPAC6,7-dimethylidene-2,3,5,8-tetrahydro-1H-pyrrolizine
SMILESC=C1CN2CCCC2C1=C
InChIInChI=1S/C9H13N/c1-7-6-10-5-3-4-9(10)8(7)2/h9H,1-6H2
InChIKeyZXQPUUPZEFYUNF-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.58
Rot. Bonds

About 6,7-dimethylidene-2,3,5,8-tetrahydro-1H-pyrrolizine

6,7-dimethylidene-2,3,5,8-tetrahydro-1H-pyrrolizine (PubChem CID 24973599) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 6,7-dimethylidene-2,3,5,8-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name6,7-dimethylidene-2,3,5,8-tetrahydro-1H-pyrrolizine
PubChem CID24973599
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name6,7-dimethylidene-2,3,5,8-tetrahydro-1H-pyrrolizine
SMILESC=C1CN2CCCC2C1=C
InChIInChI=1S/C9H13N/c1-7-6-10-5-3-4-9(10)8(7)2/h9H,1-6H2
InChIKeyZXQPUUPZEFYUNF-UHFFFAOYSA-N
XLogP1.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethylidene-2,3,5,8-tetrahydro-1H-pyrrolizine?
The IUPAC name of 6,7-dimethylidene-2,3,5,8-tetrahydro-1H-pyrrolizine (CID 24973599) is 6,7-dimethylidene-2,3,5,8-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 6,7-dimethylidene-2,3,5,8-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 6,7-dimethylidene-2,3,5,8-tetrahydro-1H-pyrrolizine is C=C1CN2CCCC2C1=C.
What is the InChIKey of 6,7-dimethylidene-2,3,5,8-tetrahydro-1H-pyrrolizine?
The InChIKey is ZXQPUUPZEFYUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7-6-10-5-3-4-9(10)8(7)2/h9H,1-6H2.
What are the key properties of 6,7-dimethylidene-2,3,5,8-tetrahydro-1H-pyrrolizine?
6,7-dimethylidene-2,3,5,8-tetrahydro-1H-pyrrolizine has a molecular weight of 135.21 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethylidene-2,3,5,8-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 24973599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).