2,2-dimethylpropane;5-ethenyl-2H-pyrrole

C11H19N — CID 159667718

IUPAC2,2-dimethylpropane;5-ethenyl-2H-pyrrole
SMILESC=CC1=NCC=C1.CC(C)(C)C
InChIInChI=1S/C6H7N.C5H12/c1-2-6-4-3-5-7-6;1-5(2,3)4/h2-4H,1,5H2;1-4H3
InChIKeyMTPWOPVFWOCPIQ-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.24
Rot. Bonds1

About 2,2-dimethylpropane;5-ethenyl-2H-pyrrole

2,2-dimethylpropane;5-ethenyl-2H-pyrrole (PubChem CID 159667718) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2,2-dimethylpropane;5-ethenyl-2H-pyrrole.

Molecular Properties

Compound Name2,2-dimethylpropane;5-ethenyl-2H-pyrrole
PubChem CID159667718
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2,2-dimethylpropane;5-ethenyl-2H-pyrrole
SMILESC=CC1=NCC=C1.CC(C)(C)C
InChIInChI=1S/C6H7N.C5H12/c1-2-6-4-3-5-7-6;1-5(2,3)4/h2-4H,1,5H2;1-4H3
InChIKeyMTPWOPVFWOCPIQ-UHFFFAOYSA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2H-pyrrole
CID 12554804
2,5-Dimethyl-2H-pyrrole
CID 21811124
(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine
CID 10464698
4-methyl-N-propan-2-ylpent-3-en-2-imine
CID 12378513
3,5-dimethyl-2H-pyrrole
CID 20653105
N-(4-methylpent-3-enyl)propan-2-imine
CID 20677101
5-ethyl-2H-pyrrole
CID 20725724
5-ethenyl-3-methyl-2H-pyrrole
CID 20774315
N-propylcyclohexa-2,5-dien-1-imine
CID 21188343
4,5-dimethyl-2H-pyrrole
CID 21353924
2,5-ditert-butyl-2H-pyrrole
CID 22374998
2,3,5-trimethyl-2H-pyrrole
CID 23422226

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;5-ethenyl-2H-pyrrole?
The IUPAC name of 2,2-dimethylpropane;5-ethenyl-2H-pyrrole (CID 159667718) is 2,2-dimethylpropane;5-ethenyl-2H-pyrrole.
What is the SMILES notation for 2,2-dimethylpropane;5-ethenyl-2H-pyrrole?
The canonical SMILES for 2,2-dimethylpropane;5-ethenyl-2H-pyrrole is C=CC1=NCC=C1.CC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropane;5-ethenyl-2H-pyrrole?
The InChIKey is MTPWOPVFWOCPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H12/c1-2-6-4-3-5-7-6;1-5(2,3)4/h2-4H,1,5H2;1-4H3.
What are the key properties of 2,2-dimethylpropane;5-ethenyl-2H-pyrrole?
2,2-dimethylpropane;5-ethenyl-2H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;5-ethenyl-2H-pyrrole is sourced from PubChem (CID 159667718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).