1-(2,4,4-trimethylpent-2-en-3-yl)pyrrolidine

C12H23N — CID 134863705

IUPAC1-(2,4,4-trimethylpent-2-en-3-yl)pyrrolidine
SMILESCC(C)=C(N1CCCC1)C(C)(C)C
InChIInChI=1S/C12H23N/c1-10(2)11(12(3,4)5)13-8-6-7-9-13/h6-9H2,1-5H3
InChIKeyRJYASXVGIHMLFD-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.42
Rot. Bonds1

About 1-(2,4,4-trimethylpent-2-en-3-yl)pyrrolidine

1-(2,4,4-trimethylpent-2-en-3-yl)pyrrolidine (PubChem CID 134863705) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-(2,4,4-trimethylpent-2-en-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2,4,4-trimethylpent-2-en-3-yl)pyrrolidine
PubChem CID134863705
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-(2,4,4-trimethylpent-2-en-3-yl)pyrrolidine
SMILESCC(C)=C(N1CCCC1)C(C)(C)C
InChIInChI=1S/C12H23N/c1-10(2)11(12(3,4)5)13-8-6-7-9-13/h6-9H2,1-5H3
InChIKeyRJYASXVGIHMLFD-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-Isopropyl-2-methylprop-1-en-1-yl)pyrrolidine
CID 637942
1-(3,3-Dimethylbut-1-en-2-yl)pyrrolidine
CID 15569629
1,1,7-Trimethyl-2,3,5,6-tetrahydropyrrolizine
CID 134894494
1-(2-Methylcyclopenten-1-yl)pyrrolidine
CID 13184318
1-(3-Methylbut-2-en-2-yl)pyrrolidine
CID 15569618
1,4,5-Trimethyl-2,3-dihydropyrrole
CID 18737135
1,3,4,5-Tetramethyl-2,3-dihydropyrrole
CID 53836913
1-(1-Cyclopentylidenebutyl)pyrrolidine
CID 57092624
1-Methyl-2-propan-2-ylidenepyrrolidine
CID 58322054
1-Propan-2-yl-3-propan-2-ylidenepyrrolidine
CID 58355805
1-Propan-2-yl-2-propan-2-ylidenepyrrolidine
CID 59657521
1-Ethyl-3,4,5-trimethyl-2,3-dihydropyrrole
CID 59801875

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,4-trimethylpent-2-en-3-yl)pyrrolidine?
The IUPAC name of 1-(2,4,4-trimethylpent-2-en-3-yl)pyrrolidine (CID 134863705) is 1-(2,4,4-trimethylpent-2-en-3-yl)pyrrolidine.
What is the SMILES notation for 1-(2,4,4-trimethylpent-2-en-3-yl)pyrrolidine?
The canonical SMILES for 1-(2,4,4-trimethylpent-2-en-3-yl)pyrrolidine is CC(C)=C(N1CCCC1)C(C)(C)C.
What is the InChIKey of 1-(2,4,4-trimethylpent-2-en-3-yl)pyrrolidine?
The InChIKey is RJYASXVGIHMLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)11(12(3,4)5)13-8-6-7-9-13/h6-9H2,1-5H3.
What are the key properties of 1-(2,4,4-trimethylpent-2-en-3-yl)pyrrolidine?
1-(2,4,4-trimethylpent-2-en-3-yl)pyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,4-trimethylpent-2-en-3-yl)pyrrolidine is sourced from PubChem (CID 134863705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).