1-ethenyl-2,4,4-trimethylpyrrolidine

C9H17N — CID 129071209

IUPAC1-ethenyl-2,4,4-trimethylpyrrolidine
SMILESC=CN1CC(C)(C)CC1C
InChIInChI=1S/C9H17N/c1-5-10-7-9(3,4)6-8(10)2/h5,8H,1,6-7H2,2-4H3
InChIKeyFBRCXASDYSOKSL-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds1

About 1-ethenyl-2,4,4-trimethylpyrrolidine

1-ethenyl-2,4,4-trimethylpyrrolidine (PubChem CID 129071209) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-ethenyl-2,4,4-trimethylpyrrolidine.

Molecular Properties

Compound Name1-ethenyl-2,4,4-trimethylpyrrolidine
PubChem CID129071209
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-ethenyl-2,4,4-trimethylpyrrolidine
SMILESC=CN1CC(C)(C)CC1C
InChIInChI=1S/C9H17N/c1-5-10-7-9(3,4)6-8(10)2/h5,8H,1,6-7H2,2-4H3
InChIKeyFBRCXASDYSOKSL-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2,4,4-trimethylpyrrolidine?
The IUPAC name of 1-ethenyl-2,4,4-trimethylpyrrolidine (CID 129071209) is 1-ethenyl-2,4,4-trimethylpyrrolidine.
What is the SMILES notation for 1-ethenyl-2,4,4-trimethylpyrrolidine?
The canonical SMILES for 1-ethenyl-2,4,4-trimethylpyrrolidine is C=CN1CC(C)(C)CC1C.
What is the InChIKey of 1-ethenyl-2,4,4-trimethylpyrrolidine?
The InChIKey is FBRCXASDYSOKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-5-10-7-9(3,4)6-8(10)2/h5,8H,1,6-7H2,2-4H3.
What are the key properties of 1-ethenyl-2,4,4-trimethylpyrrolidine?
1-ethenyl-2,4,4-trimethylpyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2,4,4-trimethylpyrrolidine is sourced from PubChem (CID 129071209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).