ethane;2H-pyrrole

C10H23N — CID 54316325

IUPACethane;2H-pyrrole
SMILESC1=CCN=C1.CC.CC.CC
InChIInChI=1S/C4H5N.3C2H6/c1-2-4-5-3-1;3*1-2/h1-3H,4H2;3*1-2H3
InChIKeySOKXNGNTOZOUTP-UHFFFAOYSA-N
MW157.30 g/mol
LogP3.71
Rot. Bonds

About ethane;2H-pyrrole

ethane;2H-pyrrole (PubChem CID 54316325) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is ethane;2H-pyrrole.

Molecular Properties

Compound Nameethane;2H-pyrrole
PubChem CID54316325
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Nameethane;2H-pyrrole
SMILESC1=CCN=C1.CC.CC.CC
InChIInChI=1S/C4H5N.3C2H6/c1-2-4-5-3-1;3*1-2/h1-3H,4H2;3*1-2H3
InChIKeySOKXNGNTOZOUTP-UHFFFAOYSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2H-pyrrole?
The IUPAC name of ethane;2H-pyrrole (CID 54316325) is ethane;2H-pyrrole.
What is the SMILES notation for ethane;2H-pyrrole?
The canonical SMILES for ethane;2H-pyrrole is C1=CCN=C1.CC.CC.CC.
What is the InChIKey of ethane;2H-pyrrole?
The InChIKey is SOKXNGNTOZOUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.3C2H6/c1-2-4-5-3-1;3*1-2/h1-3H,4H2;3*1-2H3.
What are the key properties of ethane;2H-pyrrole?
ethane;2H-pyrrole has a molecular weight of 157.30 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2H-pyrrole is sourced from PubChem (CID 54316325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).