ethane;ethylbenzene;pyrrolidine

C14H25N — CID 171827481

IUPACethane;ethylbenzene;pyrrolidine
SMILESC1CCNC1.CC.CCc1ccccc1
InChIInChI=1S/C8H10.C4H9N.C2H6/c1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;1-2/h3-7H,2H2,1H3;5H,1-4H2;1-2H3
InChIKeyONBHBGFKUQXAAN-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.64
Rot. Bonds1

About ethane;ethylbenzene;pyrrolidine

ethane;ethylbenzene;pyrrolidine (PubChem CID 171827481) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is ethane;ethylbenzene;pyrrolidine.

Molecular Properties

Compound Nameethane;ethylbenzene;pyrrolidine
PubChem CID171827481
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Nameethane;ethylbenzene;pyrrolidine
SMILESC1CCNC1.CC.CCc1ccccc1
InChIInChI=1S/C8H10.C4H9N.C2H6/c1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;1-2/h3-7H,2H2,1H3;5H,1-4H2;1-2H3
InChIKeyONBHBGFKUQXAAN-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene;pyrrolidine?
The IUPAC name of ethane;ethylbenzene;pyrrolidine (CID 171827481) is ethane;ethylbenzene;pyrrolidine.
What is the SMILES notation for ethane;ethylbenzene;pyrrolidine?
The canonical SMILES for ethane;ethylbenzene;pyrrolidine is C1CCNC1.CC.CCc1ccccc1.
What is the InChIKey of ethane;ethylbenzene;pyrrolidine?
The InChIKey is ONBHBGFKUQXAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C4H9N.C2H6/c1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;1-2/h3-7H,2H2,1H3;5H,1-4H2;1-2H3.
What are the key properties of ethane;ethylbenzene;pyrrolidine?
ethane;ethylbenzene;pyrrolidine has a molecular weight of 207.36 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylbenzene;pyrrolidine is sourced from PubChem (CID 171827481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).