1-butyl-4-methylidene-2-propan-2-ylpyrrolidine

C12H23N — CID 14143984

IUPAC1-butyl-4-methylidene-2-propan-2-ylpyrrolidine
SMILESC=C1CC(C(C)C)N(CCCC)C1
InChIInChI=1S/C12H23N/c1-5-6-7-13-9-11(4)8-12(13)10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyRMENNXAQPGOAEK-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.07
Rot. Bonds4

About 1-butyl-4-methylidene-2-propan-2-ylpyrrolidine

1-butyl-4-methylidene-2-propan-2-ylpyrrolidine (PubChem CID 14143984) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-butyl-4-methylidene-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-butyl-4-methylidene-2-propan-2-ylpyrrolidine
PubChem CID14143984
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-butyl-4-methylidene-2-propan-2-ylpyrrolidine
SMILESC=C1CC(C(C)C)N(CCCC)C1
InChIInChI=1S/C12H23N/c1-5-6-7-13-9-11(4)8-12(13)10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyRMENNXAQPGOAEK-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.07
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-butyl-4-methylidene-2-propan-2-ylpyrrolidine?
The IUPAC name of 1-butyl-4-methylidene-2-propan-2-ylpyrrolidine (CID 14143984) is 1-butyl-4-methylidene-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-butyl-4-methylidene-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1-butyl-4-methylidene-2-propan-2-ylpyrrolidine is C=C1CC(C(C)C)N(CCCC)C1.
What is the InChIKey of 1-butyl-4-methylidene-2-propan-2-ylpyrrolidine?
The InChIKey is RMENNXAQPGOAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-6-7-13-9-11(4)8-12(13)10(2)3/h10,12H,4-9H2,1-3H3.
What are the key properties of 1-butyl-4-methylidene-2-propan-2-ylpyrrolidine?
1-butyl-4-methylidene-2-propan-2-ylpyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylidene-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 14143984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).