2-methylidene-1-nonylpyrrolidine

C14H27N — CID 70210485

IUPAC2-methylidene-1-nonylpyrrolidine
SMILESC=C1CCCN1CCCCCCCCC
InChIInChI=1S/C14H27N/c1-3-4-5-6-7-8-9-12-15-13-10-11-14(15)2/h2-13H2,1H3
InChIKeyPIHYNUDHQADMBO-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.35
Rot. Bonds8

About 2-methylidene-1-nonylpyrrolidine

2-methylidene-1-nonylpyrrolidine (PubChem CID 70210485) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-methylidene-1-nonylpyrrolidine.

Molecular Properties

Compound Name2-methylidene-1-nonylpyrrolidine
PubChem CID70210485
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-methylidene-1-nonylpyrrolidine
SMILESC=C1CCCN1CCCCCCCCC
InChIInChI=1S/C14H27N/c1-3-4-5-6-7-8-9-12-15-13-10-11-14(15)2/h2-13H2,1H3
InChIKeyPIHYNUDHQADMBO-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.35
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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Related Compounds

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CID 144892580
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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-nonylpyrrolidine?
The IUPAC name of 2-methylidene-1-nonylpyrrolidine (CID 70210485) is 2-methylidene-1-nonylpyrrolidine.
What is the SMILES notation for 2-methylidene-1-nonylpyrrolidine?
The canonical SMILES for 2-methylidene-1-nonylpyrrolidine is C=C1CCCN1CCCCCCCCC.
What is the InChIKey of 2-methylidene-1-nonylpyrrolidine?
The InChIKey is PIHYNUDHQADMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-3-4-5-6-7-8-9-12-15-13-10-11-14(15)2/h2-13H2,1H3.
What are the key properties of 2-methylidene-1-nonylpyrrolidine?
2-methylidene-1-nonylpyrrolidine has a molecular weight of 209.38 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-nonylpyrrolidine is sourced from PubChem (CID 70210485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).