4,4,5-trimethyl-2-propan-2-ylidene-3H-pyrrole

C10H17N — CID 5325603

IUPAC4,4,5-trimethyl-2-propan-2-ylidene-3H-pyrrole
SMILESCC1=NC(=C(C)C)CC1(C)C
InChIInChI=1S/C10H17N/c1-7(2)9-6-10(4,5)8(3)11-9/h6H2,1-5H3
InChIKeyDOQOFOVGTIDVMM-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.17
Rot. Bonds

About 4,4,5-trimethyl-2-propan-2-ylidene-3H-pyrrole

4,4,5-trimethyl-2-propan-2-ylidene-3H-pyrrole (PubChem CID 5325603) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4,4,5-trimethyl-2-propan-2-ylidene-3H-pyrrole.

Molecular Properties

Compound Name4,4,5-trimethyl-2-propan-2-ylidene-3H-pyrrole
PubChem CID5325603
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4,4,5-trimethyl-2-propan-2-ylidene-3H-pyrrole
SMILESCC1=NC(=C(C)C)CC1(C)C
InChIInChI=1S/C10H17N/c1-7(2)9-6-10(4,5)8(3)11-9/h6H2,1-5H3
InChIKeyDOQOFOVGTIDVMM-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethyl-2-propan-2-ylidene-3H-pyrrole?
The IUPAC name of 4,4,5-trimethyl-2-propan-2-ylidene-3H-pyrrole (CID 5325603) is 4,4,5-trimethyl-2-propan-2-ylidene-3H-pyrrole.
What is the SMILES notation for 4,4,5-trimethyl-2-propan-2-ylidene-3H-pyrrole?
The canonical SMILES for 4,4,5-trimethyl-2-propan-2-ylidene-3H-pyrrole is CC1=NC(=C(C)C)CC1(C)C.
What is the InChIKey of 4,4,5-trimethyl-2-propan-2-ylidene-3H-pyrrole?
The InChIKey is DOQOFOVGTIDVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7(2)9-6-10(4,5)8(3)11-9/h6H2,1-5H3.
What are the key properties of 4,4,5-trimethyl-2-propan-2-ylidene-3H-pyrrole?
4,4,5-trimethyl-2-propan-2-ylidene-3H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-2-propan-2-ylidene-3H-pyrrole is sourced from PubChem (CID 5325603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).