ethane;propane;pyrrolidine

C9H23N — CID 91102166

IUPACethane;propane;pyrrolidine
SMILESC1CCNC1.CC.CCC
InChIInChI=1S/C4H9N.C3H8.C2H6/c1-2-4-5-3-1;1-3-2;1-2/h5H,1-4H2;3H2,1-2H3;1-2H3
InChIKeyDLNRDPMQGGEBFE-UHFFFAOYSA-N
MW145.29 g/mol
LogP2.81
Rot. Bonds

About ethane;propane;pyrrolidine

ethane;propane;pyrrolidine (PubChem CID 91102166) has the molecular formula C9H23N and a molecular weight of 145.29 g/mol. Its IUPAC name is ethane;propane;pyrrolidine.

Molecular Properties

Compound Nameethane;propane;pyrrolidine
PubChem CID91102166
Molecular FormulaC9H23N
Molecular Weight145.29 g/mol
Exact Mass145.18
IUPAC Nameethane;propane;pyrrolidine
SMILESC1CCNC1.CC.CCC
InChIInChI=1S/C4H9N.C3H8.C2H6/c1-2-4-5-3-1;1-3-2;1-2/h5H,1-4H2;3H2,1-2H3;1-2H3
InChIKeyDLNRDPMQGGEBFE-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;propane;pyrrolidine?
The IUPAC name of ethane;propane;pyrrolidine (CID 91102166) is ethane;propane;pyrrolidine.
What is the SMILES notation for ethane;propane;pyrrolidine?
The canonical SMILES for ethane;propane;pyrrolidine is C1CCNC1.CC.CCC.
What is the InChIKey of ethane;propane;pyrrolidine?
The InChIKey is DLNRDPMQGGEBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C3H8.C2H6/c1-2-4-5-3-1;1-3-2;1-2/h5H,1-4H2;3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;pyrrolidine?
ethane;propane;pyrrolidine has a molecular weight of 145.29 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;pyrrolidine is sourced from PubChem (CID 91102166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).