1-methyl-2-(9-phenylnonyl)pyrrolidine

C20H33N — CID 24881275

IUPAC1-methyl-2-(9-phenylnonyl)pyrrolidine
SMILESCN1CCCC1CCCCCCCCCc1ccccc1
InChIInChI=1S/C20H33N/c1-21-18-12-17-20(21)16-11-6-4-2-3-5-8-13-19-14-9-7-10-15-19/h7,9-10,14-15,20H,2-6,8,11-13,16-18H2,1H3
InChIKeyMNVHQKNDNJJRIX-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.44
Rot. Bonds10

About 1-methyl-2-(9-phenylnonyl)pyrrolidine

1-methyl-2-(9-phenylnonyl)pyrrolidine (PubChem CID 24881275) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-methyl-2-(9-phenylnonyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-(9-phenylnonyl)pyrrolidine
PubChem CID24881275
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-methyl-2-(9-phenylnonyl)pyrrolidine
SMILESCN1CCCC1CCCCCCCCCc1ccccc1
InChIInChI=1S/C20H33N/c1-21-18-12-17-20(21)16-11-6-4-2-3-5-8-13-19-14-9-7-10-15-19/h7,9-10,14-15,20H,2-6,8,11-13,16-18H2,1H3
InChIKeyMNVHQKNDNJJRIX-UHFFFAOYSA-N
XLogP5.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(9-phenylnonyl)pyrrolidine?
The IUPAC name of 1-methyl-2-(9-phenylnonyl)pyrrolidine (CID 24881275) is 1-methyl-2-(9-phenylnonyl)pyrrolidine.
What is the SMILES notation for 1-methyl-2-(9-phenylnonyl)pyrrolidine?
The canonical SMILES for 1-methyl-2-(9-phenylnonyl)pyrrolidine is CN1CCCC1CCCCCCCCCc1ccccc1.
What is the InChIKey of 1-methyl-2-(9-phenylnonyl)pyrrolidine?
The InChIKey is MNVHQKNDNJJRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-21-18-12-17-20(21)16-11-6-4-2-3-5-8-13-19-14-9-7-10-15-19/h7,9-10,14-15,20H,2-6,8,11-13,16-18H2,1H3.
What are the key properties of 1-methyl-2-(9-phenylnonyl)pyrrolidine?
1-methyl-2-(9-phenylnonyl)pyrrolidine has a molecular weight of 287.49 g/mol, XLogP of 5.44, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(9-phenylnonyl)pyrrolidine is sourced from PubChem (CID 24881275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).