ethane;2-methyl-4-propan-2-yl-1H-pyrrole;molecular hydrogen

C10H21N — CID 177161315

IUPACethane;2-methyl-4-propan-2-yl-1H-pyrrole;molecular hydrogen
SMILESCC.Cc1cc(C(C)C)c[nH]1.[H][H]
InChIInChI=1S/C8H13N.C2H6.H2/c1-6(2)8-4-7(3)9-5-8;1-2;/h4-6,9H,1-3H3;1-2H3;1H
InChIKeyGULXRDFYJDRJON-UHFFFAOYSA-N
MW155.28 g/mol
LogP3.72
Rot. Bonds1

About ethane;2-methyl-4-propan-2-yl-1H-pyrrole;molecular hydrogen

ethane;2-methyl-4-propan-2-yl-1H-pyrrole;molecular hydrogen (PubChem CID 177161315) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;2-methyl-4-propan-2-yl-1H-pyrrole;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-methyl-4-propan-2-yl-1H-pyrrole;molecular hydrogen
PubChem CID177161315
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;2-methyl-4-propan-2-yl-1H-pyrrole;molecular hydrogen
SMILESCC.Cc1cc(C(C)C)c[nH]1.[H][H]
InChIInChI=1S/C8H13N.C2H6.H2/c1-6(2)8-4-7(3)9-5-8;1-2;/h4-6,9H,1-3H3;1-2H3;1H
InChIKeyGULXRDFYJDRJON-UHFFFAOYSA-N
XLogP3.72
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-propan-2-yl-1H-pyrrole;molecular hydrogen?
The IUPAC name of ethane;2-methyl-4-propan-2-yl-1H-pyrrole;molecular hydrogen (CID 177161315) is ethane;2-methyl-4-propan-2-yl-1H-pyrrole;molecular hydrogen.
What is the SMILES notation for ethane;2-methyl-4-propan-2-yl-1H-pyrrole;molecular hydrogen?
The canonical SMILES for ethane;2-methyl-4-propan-2-yl-1H-pyrrole;molecular hydrogen is CC.Cc1cc(C(C)C)c[nH]1.[H][H].
What is the InChIKey of ethane;2-methyl-4-propan-2-yl-1H-pyrrole;molecular hydrogen?
The InChIKey is GULXRDFYJDRJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C2H6.H2/c1-6(2)8-4-7(3)9-5-8;1-2;/h4-6,9H,1-3H3;1-2H3;1H.
What are the key properties of ethane;2-methyl-4-propan-2-yl-1H-pyrrole;molecular hydrogen?
ethane;2-methyl-4-propan-2-yl-1H-pyrrole;molecular hydrogen has a molecular weight of 155.28 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-propan-2-yl-1H-pyrrole;molecular hydrogen is sourced from PubChem (CID 177161315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).