2,2-dimethylpropane;3H-pyrrole

C9H17N — CID 162259780

IUPAC2,2-dimethylpropane;3H-pyrrole
SMILESC1=CN=CC1.CC(C)(C)C
InChIInChI=1S/C5H12.C4H5N/c1-5(2,3)4;1-2-4-5-3-1/h1-4H3;1,3-4H,2H2
InChIKeyZZBUBQCSQIZWIJ-UHFFFAOYSA-N
MW139.24 g/mol
LogP3.03
Rot. Bonds

About 2,2-dimethylpropane;3H-pyrrole

2,2-dimethylpropane;3H-pyrrole (PubChem CID 162259780) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2,2-dimethylpropane;3H-pyrrole.

Molecular Properties

Compound Name2,2-dimethylpropane;3H-pyrrole
PubChem CID162259780
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2,2-dimethylpropane;3H-pyrrole
SMILESC1=CN=CC1.CC(C)(C)C
InChIInChI=1S/C5H12.C4H5N/c1-5(2,3)4;1-2-4-5-3-1/h1-4H3;1,3-4H,2H2
InChIKeyZZBUBQCSQIZWIJ-UHFFFAOYSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;3H-pyrrole?
The IUPAC name of 2,2-dimethylpropane;3H-pyrrole (CID 162259780) is 2,2-dimethylpropane;3H-pyrrole.
What is the SMILES notation for 2,2-dimethylpropane;3H-pyrrole?
The canonical SMILES for 2,2-dimethylpropane;3H-pyrrole is C1=CN=CC1.CC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropane;3H-pyrrole?
The InChIKey is ZZBUBQCSQIZWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H5N/c1-5(2,3)4;1-2-4-5-3-1/h1-4H3;1,3-4H,2H2.
What are the key properties of 2,2-dimethylpropane;3H-pyrrole?
2,2-dimethylpropane;3H-pyrrole has a molecular weight of 139.24 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;3H-pyrrole is sourced from PubChem (CID 162259780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).