1-ethenyl-1-methyl-2,3-dihydropyrrolizine

C10H13N — CID 46177866

IUPAC1-ethenyl-1-methyl-2,3-dihydropyrrolizine
SMILESC=CC1(C)CCn2cccc21
InChIInChI=1S/C10H13N/c1-3-10(2)6-8-11-7-4-5-9(10)11/h3-5,7H,1,6,8H2,2H3
InChIKeyPTOMSWRRWXEJOW-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.34
Rot. Bonds1

About 1-ethenyl-1-methyl-2,3-dihydropyrrolizine

1-ethenyl-1-methyl-2,3-dihydropyrrolizine (PubChem CID 46177866) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-ethenyl-1-methyl-2,3-dihydropyrrolizine.

Molecular Properties

Compound Name1-ethenyl-1-methyl-2,3-dihydropyrrolizine
PubChem CID46177866
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1-ethenyl-1-methyl-2,3-dihydropyrrolizine
SMILESC=CC1(C)CCn2cccc21
InChIInChI=1S/C10H13N/c1-3-10(2)6-8-11-7-4-5-9(10)11/h3-5,7H,1,6,8H2,2H3
InChIKeyPTOMSWRRWXEJOW-UHFFFAOYSA-N
XLogP2.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.34
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 1-ethenyl-1-methyl-2,3-dihydropyrrolizine?
The IUPAC name of 1-ethenyl-1-methyl-2,3-dihydropyrrolizine (CID 46177866) is 1-ethenyl-1-methyl-2,3-dihydropyrrolizine.
What is the SMILES notation for 1-ethenyl-1-methyl-2,3-dihydropyrrolizine?
The canonical SMILES for 1-ethenyl-1-methyl-2,3-dihydropyrrolizine is C=CC1(C)CCn2cccc21.
What is the InChIKey of 1-ethenyl-1-methyl-2,3-dihydropyrrolizine?
The InChIKey is PTOMSWRRWXEJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-3-10(2)6-8-11-7-4-5-9(10)11/h3-5,7H,1,6,8H2,2H3.
What are the key properties of 1-ethenyl-1-methyl-2,3-dihydropyrrolizine?
1-ethenyl-1-methyl-2,3-dihydropyrrolizine has a molecular weight of 147.22 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-methyl-2,3-dihydropyrrolizine is sourced from PubChem (CID 46177866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).