3-methyl-1-(1-prop-2-enoxyethenyl)pyrrolidine

C10H17NO — CID 142201878

IUPAC3-methyl-1-(1-prop-2-enoxyethenyl)pyrrolidine
SMILESC=CCOC(=C)N1CCC(C)C1
InChIInChI=1S/C10H17NO/c1-4-7-12-10(3)11-6-5-9(2)8-11/h4,9H,1,3,5-8H2,2H3
InChIKeyNENIBMUCDCOLFX-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.00
Rot. Bonds4

About 3-methyl-1-(1-prop-2-enoxyethenyl)pyrrolidine

3-methyl-1-(1-prop-2-enoxyethenyl)pyrrolidine (PubChem CID 142201878) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-methyl-1-(1-prop-2-enoxyethenyl)pyrrolidine.

Molecular Properties

Compound Name3-methyl-1-(1-prop-2-enoxyethenyl)pyrrolidine
PubChem CID142201878
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-methyl-1-(1-prop-2-enoxyethenyl)pyrrolidine
SMILESC=CCOC(=C)N1CCC(C)C1
InChIInChI=1S/C10H17NO/c1-4-7-12-10(3)11-6-5-9(2)8-11/h4,9H,1,3,5-8H2,2H3
InChIKeyNENIBMUCDCOLFX-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-prop-2-enoxyethenyl)pyrrolidine?
The IUPAC name of 3-methyl-1-(1-prop-2-enoxyethenyl)pyrrolidine (CID 142201878) is 3-methyl-1-(1-prop-2-enoxyethenyl)pyrrolidine.
What is the SMILES notation for 3-methyl-1-(1-prop-2-enoxyethenyl)pyrrolidine?
The canonical SMILES for 3-methyl-1-(1-prop-2-enoxyethenyl)pyrrolidine is C=CCOC(=C)N1CCC(C)C1.
What is the InChIKey of 3-methyl-1-(1-prop-2-enoxyethenyl)pyrrolidine?
The InChIKey is NENIBMUCDCOLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-7-12-10(3)11-6-5-9(2)8-11/h4,9H,1,3,5-8H2,2H3.
What are the key properties of 3-methyl-1-(1-prop-2-enoxyethenyl)pyrrolidine?
3-methyl-1-(1-prop-2-enoxyethenyl)pyrrolidine has a molecular weight of 167.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-prop-2-enoxyethenyl)pyrrolidine is sourced from PubChem (CID 142201878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).