2-(2-methylidenebutoxymethyl)pyrrolidine

C10H19NO — CID 66045266

IUPAC2-(2-methylidenebutoxymethyl)pyrrolidine
SMILESC=C(CC)COCC1CCCN1
InChIInChI=1S/C10H19NO/c1-3-9(2)7-12-8-10-5-4-6-11-10/h10-11H,2-8H2,1H3
InChIKeyDWBOTWMDJDKAEP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds5

About 2-(2-methylidenebutoxymethyl)pyrrolidine

2-(2-methylidenebutoxymethyl)pyrrolidine (PubChem CID 66045266) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(2-methylidenebutoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-methylidenebutoxymethyl)pyrrolidine
PubChem CID66045266
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(2-methylidenebutoxymethyl)pyrrolidine
SMILESC=C(CC)COCC1CCCN1
InChIInChI=1S/C10H19NO/c1-3-9(2)7-12-8-10-5-4-6-11-10/h10-11H,2-8H2,1H3
InChIKeyDWBOTWMDJDKAEP-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(2-methylidenebutoxymethyl)pyrrolidine?
The IUPAC name of 2-(2-methylidenebutoxymethyl)pyrrolidine (CID 66045266) is 2-(2-methylidenebutoxymethyl)pyrrolidine.
What is the SMILES notation for 2-(2-methylidenebutoxymethyl)pyrrolidine?
The canonical SMILES for 2-(2-methylidenebutoxymethyl)pyrrolidine is C=C(CC)COCC1CCCN1.
What is the InChIKey of 2-(2-methylidenebutoxymethyl)pyrrolidine?
The InChIKey is DWBOTWMDJDKAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-9(2)7-12-8-10-5-4-6-11-10/h10-11H,2-8H2,1H3.
What are the key properties of 2-(2-methylidenebutoxymethyl)pyrrolidine?
2-(2-methylidenebutoxymethyl)pyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidenebutoxymethyl)pyrrolidine is sourced from PubChem (CID 66045266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).