6,7-dimethyl-8-[(E)-2-methylbut-1-enyl]-1,2,3,5-tetrahydropyrrolizine

C14H23N — CID 58196087

IUPAC6,7-dimethyl-8-[(E)-2-methylbut-1-enyl]-1,2,3,5-tetrahydropyrrolizine
SMILESCC/C(C)=C/C12CCCN1CC(C)=C2C
InChIInChI=1S/C14H23N/c1-5-11(2)9-14-7-6-8-15(14)10-12(3)13(14)4/h9H,5-8,10H2,1-4H3/b11-9+
InChIKeyNROCZVAPBDYDDA-PKNBQFBNSA-N
MW205.34 g/mol
LogP3.53
Rot. Bonds2

About 6,7-dimethyl-8-[(E)-2-methylbut-1-enyl]-1,2,3,5-tetrahydropyrrolizine

6,7-dimethyl-8-[(E)-2-methylbut-1-enyl]-1,2,3,5-tetrahydropyrrolizine (PubChem CID 58196087) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 6,7-dimethyl-8-[(E)-2-methylbut-1-enyl]-1,2,3,5-tetrahydropyrrolizine.

Molecular Properties

Compound Name6,7-dimethyl-8-[(E)-2-methylbut-1-enyl]-1,2,3,5-tetrahydropyrrolizine
PubChem CID58196087
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name6,7-dimethyl-8-[(E)-2-methylbut-1-enyl]-1,2,3,5-tetrahydropyrrolizine
SMILESCC/C(C)=C/C12CCCN1CC(C)=C2C
InChIInChI=1S/C14H23N/c1-5-11(2)9-14-7-6-8-15(14)10-12(3)13(14)4/h9H,5-8,10H2,1-4H3/b11-9+
InChIKeyNROCZVAPBDYDDA-PKNBQFBNSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.53
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 6,7-dimethyl-8-[(E)-2-methylbut-1-enyl]-1,2,3,5-tetrahydropyrrolizine?
The IUPAC name of 6,7-dimethyl-8-[(E)-2-methylbut-1-enyl]-1,2,3,5-tetrahydropyrrolizine (CID 58196087) is 6,7-dimethyl-8-[(E)-2-methylbut-1-enyl]-1,2,3,5-tetrahydropyrrolizine.
What is the SMILES notation for 6,7-dimethyl-8-[(E)-2-methylbut-1-enyl]-1,2,3,5-tetrahydropyrrolizine?
The canonical SMILES for 6,7-dimethyl-8-[(E)-2-methylbut-1-enyl]-1,2,3,5-tetrahydropyrrolizine is CC/C(C)=C/C12CCCN1CC(C)=C2C.
What is the InChIKey of 6,7-dimethyl-8-[(E)-2-methylbut-1-enyl]-1,2,3,5-tetrahydropyrrolizine?
The InChIKey is NROCZVAPBDYDDA-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H23N/c1-5-11(2)9-14-7-6-8-15(14)10-12(3)13(14)4/h9H,5-8,10H2,1-4H3/b11-9+.
What are the key properties of 6,7-dimethyl-8-[(E)-2-methylbut-1-enyl]-1,2,3,5-tetrahydropyrrolizine?
6,7-dimethyl-8-[(E)-2-methylbut-1-enyl]-1,2,3,5-tetrahydropyrrolizine has a molecular weight of 205.34 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-8-[(E)-2-methylbut-1-enyl]-1,2,3,5-tetrahydropyrrolizine is sourced from PubChem (CID 58196087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).