3,3,4,4-tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole

C14H25N — CID 58795703

IUPAC3,3,4,4-tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole
SMILESCC(C)=C1N=C(C(C)C)C(C)(C)C1(C)C
InChIInChI=1S/C14H25N/c1-9(2)11-13(5,6)14(7,8)12(15-11)10(3)4/h9H,1-8H3
InChIKeyLNINQSIOMQISNC-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.44
Rot. Bonds1

About 3,3,4,4-tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole

3,3,4,4-tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole (PubChem CID 58795703) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3,3,4,4-tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole.

Molecular Properties

Compound Name3,3,4,4-tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole
PubChem CID58795703
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3,3,4,4-tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole
SMILESCC(C)=C1N=C(C(C)C)C(C)(C)C1(C)C
InChIInChI=1S/C14H25N/c1-9(2)11-13(5,6)14(7,8)12(15-11)10(3)4/h9H,1-8H3
InChIKeyLNINQSIOMQISNC-UHFFFAOYSA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole?
The IUPAC name of 3,3,4,4-tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole (CID 58795703) is 3,3,4,4-tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole.
What is the SMILES notation for 3,3,4,4-tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole?
The canonical SMILES for 3,3,4,4-tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole is CC(C)=C1N=C(C(C)C)C(C)(C)C1(C)C.
What is the InChIKey of 3,3,4,4-tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole?
The InChIKey is LNINQSIOMQISNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-9(2)11-13(5,6)14(7,8)12(15-11)10(3)4/h9H,1-8H3.
What are the key properties of 3,3,4,4-tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole?
3,3,4,4-tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole has a molecular weight of 207.36 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole is sourced from PubChem (CID 58795703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).