ethane;1-[2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine

C15H27NO — CID 144722673

IUPACethane;1-[2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine
SMILESCC.CC1=C(OCCN2CCCC2)C=CCC1
InChIInChI=1S/C13H21NO.C2H6/c1-12-6-2-3-7-13(12)15-11-10-14-8-4-5-9-14;1-2/h3,7H,2,4-6,8-11H2,1H3;1-2H3
InChIKeyQMUUOVSOBKYYRD-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.75
Rot. Bonds4

About ethane;1-[2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine

ethane;1-[2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine (PubChem CID 144722673) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;1-[2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine.

Molecular Properties

Compound Nameethane;1-[2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine
PubChem CID144722673
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethane;1-[2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine
SMILESCC.CC1=C(OCCN2CCCC2)C=CCC1
InChIInChI=1S/C13H21NO.C2H6/c1-12-6-2-3-7-13(12)15-11-10-14-8-4-5-9-14;1-2/h3,7H,2,4-6,8-11H2,1H3;1-2H3
InChIKeyQMUUOVSOBKYYRD-UHFFFAOYSA-N
XLogP3.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine?
The IUPAC name of ethane;1-[2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine (CID 144722673) is ethane;1-[2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine.
What is the SMILES notation for ethane;1-[2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine?
The canonical SMILES for ethane;1-[2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine is CC.CC1=C(OCCN2CCCC2)C=CCC1.
What is the InChIKey of ethane;1-[2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine?
The InChIKey is QMUUOVSOBKYYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.C2H6/c1-12-6-2-3-7-13(12)15-11-10-14-8-4-5-9-14;1-2/h3,7H,2,4-6,8-11H2,1H3;1-2H3.
What are the key properties of ethane;1-[2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine?
ethane;1-[2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine has a molecular weight of 237.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine is sourced from PubChem (CID 144722673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).