7-methylidene-1,2,3,5,6,8-hexahydropyrrolizine

C8H13N — CID 3990672

IUPAC7-methylidene-1,2,3,5,6,8-hexahydropyrrolizine
SMILESC=C1CCN2CCCC12
InChIInChI=1S/C8H13N/c1-7-4-6-9-5-2-3-8(7)9/h8H,1-6H2
InChIKeySVJAUSAOZOLUJQ-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.41
Rot. Bonds

About 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizine

7-methylidene-1,2,3,5,6,8-hexahydropyrrolizine (PubChem CID 3990672) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizine.

Molecular Properties

Compound Name7-methylidene-1,2,3,5,6,8-hexahydropyrrolizine
PubChem CID3990672
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name7-methylidene-1,2,3,5,6,8-hexahydropyrrolizine
SMILESC=C1CCN2CCCC12
InChIInChI=1S/C8H13N/c1-7-4-6-9-5-2-3-8(7)9/h8H,1-6H2
InChIKeySVJAUSAOZOLUJQ-UHFFFAOYSA-N
XLogP1.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.41
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 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizine?
The IUPAC name of 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizine (CID 3990672) is 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizine.
What is the SMILES notation for 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizine?
The canonical SMILES for 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizine is C=C1CCN2CCCC12.
What is the InChIKey of 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizine?
The InChIKey is SVJAUSAOZOLUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-4-6-9-5-2-3-8(7)9/h8H,1-6H2.
What are the key properties of 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizine?
7-methylidene-1,2,3,5,6,8-hexahydropyrrolizine has a molecular weight of 123.20 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizine is sourced from PubChem (CID 3990672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).