ethane;3-methyl-1-propan-2-ylpyrrole

C10H19N — CID 143985527

IUPACethane;3-methyl-1-propan-2-ylpyrrole
SMILESCC.Cc1ccn(C(C)C)c1
InChIInChI=1S/C8H13N.C2H6/c1-7(2)9-5-4-8(3)6-9;1-2/h4-7H,1-3H3;1-2H3
InChIKeyCMOLUOISNQQFJV-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.40
Rot. Bonds1

About ethane;3-methyl-1-propan-2-ylpyrrole

ethane;3-methyl-1-propan-2-ylpyrrole (PubChem CID 143985527) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is ethane;3-methyl-1-propan-2-ylpyrrole.

Molecular Properties

Compound Nameethane;3-methyl-1-propan-2-ylpyrrole
PubChem CID143985527
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Nameethane;3-methyl-1-propan-2-ylpyrrole
SMILESCC.Cc1ccn(C(C)C)c1
InChIInChI=1S/C8H13N.C2H6/c1-7(2)9-5-4-8(3)6-9;1-2/h4-7H,1-3H3;1-2H3
InChIKeyCMOLUOISNQQFJV-UHFFFAOYSA-N
XLogP3.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-propan-2-ylpyrrole?
The IUPAC name of ethane;3-methyl-1-propan-2-ylpyrrole (CID 143985527) is ethane;3-methyl-1-propan-2-ylpyrrole.
What is the SMILES notation for ethane;3-methyl-1-propan-2-ylpyrrole?
The canonical SMILES for ethane;3-methyl-1-propan-2-ylpyrrole is CC.Cc1ccn(C(C)C)c1.
What is the InChIKey of ethane;3-methyl-1-propan-2-ylpyrrole?
The InChIKey is CMOLUOISNQQFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C2H6/c1-7(2)9-5-4-8(3)6-9;1-2/h4-7H,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-1-propan-2-ylpyrrole?
ethane;3-methyl-1-propan-2-ylpyrrole has a molecular weight of 153.27 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-propan-2-ylpyrrole is sourced from PubChem (CID 143985527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).