1-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]pyrrolidine

C14H25NO — CID 3327518

IUPAC1-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]pyrrolidine
SMILESC=C(C)C1CCC(C)OC1CN1CCCC1
InChIInChI=1S/C14H25NO/c1-11(2)13-7-6-12(3)16-14(13)10-15-8-4-5-9-15/h12-14H,1,4-10H2,2-3H3
InChIKeyOESHVYGQGUCFKO-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.84
Rot. Bonds3

About 1-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]pyrrolidine

1-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]pyrrolidine (PubChem CID 3327518) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]pyrrolidine
PubChem CID3327518
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]pyrrolidine
SMILESC=C(C)C1CCC(C)OC1CN1CCCC1
InChIInChI=1S/C14H25NO/c1-11(2)13-7-6-12(3)16-14(13)10-15-8-4-5-9-15/h12-14H,1,4-10H2,2-3H3
InChIKeyOESHVYGQGUCFKO-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
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 1-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]pyrrolidine?
The IUPAC name of 1-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]pyrrolidine (CID 3327518) is 1-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]pyrrolidine?
The canonical SMILES for 1-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]pyrrolidine is C=C(C)C1CCC(C)OC1CN1CCCC1.
What is the InChIKey of 1-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]pyrrolidine?
The InChIKey is OESHVYGQGUCFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)13-7-6-12(3)16-14(13)10-15-8-4-5-9-15/h12-14H,1,4-10H2,2-3H3.
What are the key properties of 1-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]pyrrolidine?
1-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]pyrrolidine has a molecular weight of 223.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 3327518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).