4-(cyclooctatetraenyl)-1-methyl-3-prop-2-enylimidazolidine

C15H20N2 — CID 123724287

IUPAC4-(cyclooctatetraenyl)-1-methyl-3-prop-2-enylimidazolidine
SMILESC=CCN1CN(C)CC1C1=CC=CC=CC=C1
InChIInChI=1S/C15H20N2/c1-3-11-17-13-16(2)12-15(17)14-9-7-5-4-6-8-10-14/h3-10,15H,1,11-13H2,2H3
InChIKeyPKNLCQAEMZTXOR-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.35
Rot. Bonds3

About 4-(cyclooctatetraenyl)-1-methyl-3-prop-2-enylimidazolidine

4-(cyclooctatetraenyl)-1-methyl-3-prop-2-enylimidazolidine (PubChem CID 123724287) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(cyclooctatetraenyl)-1-methyl-3-prop-2-enylimidazolidine.

Molecular Properties

Compound Name4-(cyclooctatetraenyl)-1-methyl-3-prop-2-enylimidazolidine
PubChem CID123724287
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name4-(cyclooctatetraenyl)-1-methyl-3-prop-2-enylimidazolidine
SMILESC=CCN1CN(C)CC1C1=CC=CC=CC=C1
InChIInChI=1S/C15H20N2/c1-3-11-17-13-16(2)12-15(17)14-9-7-5-4-6-8-10-14/h3-10,15H,1,11-13H2,2H3
InChIKeyPKNLCQAEMZTXOR-UHFFFAOYSA-N
XLogP2.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.35
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 4-(cyclooctatetraenyl)-1-methyl-3-prop-2-enylimidazolidine?
The IUPAC name of 4-(cyclooctatetraenyl)-1-methyl-3-prop-2-enylimidazolidine (CID 123724287) is 4-(cyclooctatetraenyl)-1-methyl-3-prop-2-enylimidazolidine.
What is the SMILES notation for 4-(cyclooctatetraenyl)-1-methyl-3-prop-2-enylimidazolidine?
The canonical SMILES for 4-(cyclooctatetraenyl)-1-methyl-3-prop-2-enylimidazolidine is C=CCN1CN(C)CC1C1=CC=CC=CC=C1.
What is the InChIKey of 4-(cyclooctatetraenyl)-1-methyl-3-prop-2-enylimidazolidine?
The InChIKey is PKNLCQAEMZTXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-3-11-17-13-16(2)12-15(17)14-9-7-5-4-6-8-10-14/h3-10,15H,1,11-13H2,2H3.
What are the key properties of 4-(cyclooctatetraenyl)-1-methyl-3-prop-2-enylimidazolidine?
4-(cyclooctatetraenyl)-1-methyl-3-prop-2-enylimidazolidine has a molecular weight of 228.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclooctatetraenyl)-1-methyl-3-prop-2-enylimidazolidine is sourced from PubChem (CID 123724287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).