furan;1H-pyrrole;pyrrolidine

C12H18N2O — CID 158197762

IUPACfuran;1H-pyrrole;pyrrolidine
SMILESC1CCNC1.c1cc[nH]c1.c1ccoc1
InChIInChI=1S/C4H9N.C4H5N.C4H4O/c3*1-2-4-5-3-1/h5H,1-4H2;1-5H;1-4H
InChIKeyGANWCKUGVNYETQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.66
Rot. Bonds

About furan;1H-pyrrole;pyrrolidine

furan;1H-pyrrole;pyrrolidine (PubChem CID 158197762) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is furan;1H-pyrrole;pyrrolidine.

Molecular Properties

Compound Namefuran;1H-pyrrole;pyrrolidine
PubChem CID158197762
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Namefuran;1H-pyrrole;pyrrolidine
SMILESC1CCNC1.c1cc[nH]c1.c1ccoc1
InChIInChI=1S/C4H9N.C4H5N.C4H4O/c3*1-2-4-5-3-1/h5H,1-4H2;1-5H;1-4H
InChIKeyGANWCKUGVNYETQ-UHFFFAOYSA-N
XLogP2.66
TPSA40.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of furan;1H-pyrrole;pyrrolidine?
The IUPAC name of furan;1H-pyrrole;pyrrolidine (CID 158197762) is furan;1H-pyrrole;pyrrolidine.
What is the SMILES notation for furan;1H-pyrrole;pyrrolidine?
The canonical SMILES for furan;1H-pyrrole;pyrrolidine is C1CCNC1.c1cc[nH]c1.c1ccoc1.
What is the InChIKey of furan;1H-pyrrole;pyrrolidine?
The InChIKey is GANWCKUGVNYETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C4H5N.C4H4O/c3*1-2-4-5-3-1/h5H,1-4H2;1-5H;1-4H.
What are the key properties of furan;1H-pyrrole;pyrrolidine?
furan;1H-pyrrole;pyrrolidine has a molecular weight of 206.29 g/mol, XLogP of 2.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1H-pyrrole;pyrrolidine is sourced from PubChem (CID 158197762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).