1-(cyclooctatetraenyl)-3-methylpyrrolidine;methane

C14H21N — CID 142041380

IUPAC1-(cyclooctatetraenyl)-3-methylpyrrolidine;methane
SMILESC.CC1CCN(C2=C/C=C\C=C/C=C\2)C1
InChIInChI=1S/C13H17N.CH4/c1-12-9-10-14(11-12)13-7-5-3-2-4-6-8-13;/h2-8,12H,9-11H2,1H3;1H4/b3-2-,4-2-,5-3-,6-4-,7-5-,8-6-,13-7+,13-8+;
InChIKeyNXXPMROKOUEXBZ-VIVXLIAQSA-N
MW203.33 g/mol
LogP3.53
Rot. Bonds1

About 1-(cyclooctatetraenyl)-3-methylpyrrolidine;methane

1-(cyclooctatetraenyl)-3-methylpyrrolidine;methane (PubChem CID 142041380) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(cyclooctatetraenyl)-3-methylpyrrolidine;methane.

Molecular Properties

Compound Name1-(cyclooctatetraenyl)-3-methylpyrrolidine;methane
PubChem CID142041380
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-(cyclooctatetraenyl)-3-methylpyrrolidine;methane
SMILESC.CC1CCN(C2=C/C=C\C=C/C=C\2)C1
InChIInChI=1S/C13H17N.CH4/c1-12-9-10-14(11-12)13-7-5-3-2-4-6-8-13;/h2-8,12H,9-11H2,1H3;1H4/b3-2-,4-2-,5-3-,6-4-,7-5-,8-6-,13-7+,13-8+;
InChIKeyNXXPMROKOUEXBZ-VIVXLIAQSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclooctatetraenyl)-3-methylpyrrolidine;methane?
The IUPAC name of 1-(cyclooctatetraenyl)-3-methylpyrrolidine;methane (CID 142041380) is 1-(cyclooctatetraenyl)-3-methylpyrrolidine;methane.
What is the SMILES notation for 1-(cyclooctatetraenyl)-3-methylpyrrolidine;methane?
The canonical SMILES for 1-(cyclooctatetraenyl)-3-methylpyrrolidine;methane is C.CC1CCN(C2=C/C=C\C=C/C=C\2)C1.
What is the InChIKey of 1-(cyclooctatetraenyl)-3-methylpyrrolidine;methane?
The InChIKey is NXXPMROKOUEXBZ-VIVXLIAQSA-N. The full InChI is InChI=1S/C13H17N.CH4/c1-12-9-10-14(11-12)13-7-5-3-2-4-6-8-13;/h2-8,12H,9-11H2,1H3;1H4/b3-2-,4-2-,5-3-,6-4-,7-5-,8-6-,13-7+,13-8+;.
What are the key properties of 1-(cyclooctatetraenyl)-3-methylpyrrolidine;methane?
1-(cyclooctatetraenyl)-3-methylpyrrolidine;methane has a molecular weight of 203.33 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclooctatetraenyl)-3-methylpyrrolidine;methane is sourced from PubChem (CID 142041380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).