ethane;3-methyl-1H-pyrrole;propane

C10H21N — CID 144523538

IUPACethane;3-methyl-1H-pyrrole;propane
SMILESCC.CCC.Cc1cc[nH]c1
InChIInChI=1S/C5H7N.C3H8.C2H6/c1-5-2-3-6-4-5;1-3-2;1-2/h2-4,6H,1H3;3H2,1-2H3;1-2H3
InChIKeyDFRKMECRPNLLEA-UHFFFAOYSA-N
MW155.28 g/mol
LogP3.77
Rot. Bonds

About ethane;3-methyl-1H-pyrrole;propane

ethane;3-methyl-1H-pyrrole;propane (PubChem CID 144523538) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;3-methyl-1H-pyrrole;propane.

Molecular Properties

Compound Nameethane;3-methyl-1H-pyrrole;propane
PubChem CID144523538
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;3-methyl-1H-pyrrole;propane
SMILESCC.CCC.Cc1cc[nH]c1
InChIInChI=1S/C5H7N.C3H8.C2H6/c1-5-2-3-6-4-5;1-3-2;1-2/h2-4,6H,1H3;3H2,1-2H3;1-2H3
InChIKeyDFRKMECRPNLLEA-UHFFFAOYSA-N
XLogP3.77
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1H-pyrrole;propane?
The IUPAC name of ethane;3-methyl-1H-pyrrole;propane (CID 144523538) is ethane;3-methyl-1H-pyrrole;propane.
What is the SMILES notation for ethane;3-methyl-1H-pyrrole;propane?
The canonical SMILES for ethane;3-methyl-1H-pyrrole;propane is CC.CCC.Cc1cc[nH]c1.
What is the InChIKey of ethane;3-methyl-1H-pyrrole;propane?
The InChIKey is DFRKMECRPNLLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C3H8.C2H6/c1-5-2-3-6-4-5;1-3-2;1-2/h2-4,6H,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-1H-pyrrole;propane?
ethane;3-methyl-1H-pyrrole;propane has a molecular weight of 155.28 g/mol, XLogP of 3.77, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1H-pyrrole;propane is sourced from PubChem (CID 144523538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).