1-(4-methylpent-4-enyl)pyrrolidine

C10H19N — CID 558395

IUPAC1-(4-methylpent-4-enyl)pyrrolidine
SMILESC=C(C)CCCN1CCCC1
InChIInChI=1S/C10H19N/c1-10(2)6-5-9-11-7-3-4-8-11/h1,3-9H2,2H3
InChIKeyNRRGRZKABDJMND-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.44
Rot. Bonds4

About 1-(4-methylpent-4-enyl)pyrrolidine

1-(4-methylpent-4-enyl)pyrrolidine (PubChem CID 558395) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-(4-methylpent-4-enyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-methylpent-4-enyl)pyrrolidine
PubChem CID558395
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-(4-methylpent-4-enyl)pyrrolidine
SMILESC=C(C)CCCN1CCCC1
InChIInChI=1S/C10H19N/c1-10(2)6-5-9-11-7-3-4-8-11/h1,3-9H2,2H3
InChIKeyNRRGRZKABDJMND-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.44
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-(4-methylpent-4-enyl)pyrrolidine?
The IUPAC name of 1-(4-methylpent-4-enyl)pyrrolidine (CID 558395) is 1-(4-methylpent-4-enyl)pyrrolidine.
What is the SMILES notation for 1-(4-methylpent-4-enyl)pyrrolidine?
The canonical SMILES for 1-(4-methylpent-4-enyl)pyrrolidine is C=C(C)CCCN1CCCC1.
What is the InChIKey of 1-(4-methylpent-4-enyl)pyrrolidine?
The InChIKey is NRRGRZKABDJMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-10(2)6-5-9-11-7-3-4-8-11/h1,3-9H2,2H3.
What are the key properties of 1-(4-methylpent-4-enyl)pyrrolidine?
1-(4-methylpent-4-enyl)pyrrolidine has a molecular weight of 153.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpent-4-enyl)pyrrolidine is sourced from PubChem (CID 558395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).