1-methyl-2-(3-methylidenepent-4-enyl)pyrrolidine

C11H19N — CID 87132774

IUPAC1-methyl-2-(3-methylidenepent-4-enyl)pyrrolidine
SMILESC=CC(=C)CCC1CCCN1C
InChIInChI=1S/C11H19N/c1-4-10(2)7-8-11-6-5-9-12(11)3/h4,11H,1-2,5-9H2,3H3
InChIKeyPZDBYTSSHWALHP-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.60
Rot. Bonds4

About 1-methyl-2-(3-methylidenepent-4-enyl)pyrrolidine

1-methyl-2-(3-methylidenepent-4-enyl)pyrrolidine (PubChem CID 87132774) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-methyl-2-(3-methylidenepent-4-enyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-(3-methylidenepent-4-enyl)pyrrolidine
PubChem CID87132774
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-methyl-2-(3-methylidenepent-4-enyl)pyrrolidine
SMILESC=CC(=C)CCC1CCCN1C
InChIInChI=1S/C11H19N/c1-4-10(2)7-8-11-6-5-9-12(11)3/h4,11H,1-2,5-9H2,3H3
InChIKeyPZDBYTSSHWALHP-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylidenepent-4-enyl)pyrrolidine?
The IUPAC name of 1-methyl-2-(3-methylidenepent-4-enyl)pyrrolidine (CID 87132774) is 1-methyl-2-(3-methylidenepent-4-enyl)pyrrolidine.
What is the SMILES notation for 1-methyl-2-(3-methylidenepent-4-enyl)pyrrolidine?
The canonical SMILES for 1-methyl-2-(3-methylidenepent-4-enyl)pyrrolidine is C=CC(=C)CCC1CCCN1C.
What is the InChIKey of 1-methyl-2-(3-methylidenepent-4-enyl)pyrrolidine?
The InChIKey is PZDBYTSSHWALHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-10(2)7-8-11-6-5-9-12(11)3/h4,11H,1-2,5-9H2,3H3.
What are the key properties of 1-methyl-2-(3-methylidenepent-4-enyl)pyrrolidine?
1-methyl-2-(3-methylidenepent-4-enyl)pyrrolidine has a molecular weight of 165.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylidenepent-4-enyl)pyrrolidine is sourced from PubChem (CID 87132774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).