3,5-ditert-butyl-4-propan-2-yl-2,3-dihydro-1H-pyrrole

C15H29N — CID 59616691

IUPAC3,5-ditert-butyl-4-propan-2-yl-2,3-dihydro-1H-pyrrole
SMILESCC(C)C1=C(C(C)(C)C)NCC1C(C)(C)C
InChIInChI=1S/C15H29N/c1-10(2)12-11(14(3,4)5)9-16-13(12)15(6,7)8/h10-11,16H,9H2,1-8H3
InChIKeyVXSVAUNXXRZMOG-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.21
Rot. Bonds1

About 3,5-ditert-butyl-4-propan-2-yl-2,3-dihydro-1H-pyrrole

3,5-ditert-butyl-4-propan-2-yl-2,3-dihydro-1H-pyrrole (PubChem CID 59616691) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 3,5-ditert-butyl-4-propan-2-yl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3,5-ditert-butyl-4-propan-2-yl-2,3-dihydro-1H-pyrrole
PubChem CID59616691
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name3,5-ditert-butyl-4-propan-2-yl-2,3-dihydro-1H-pyrrole
SMILESCC(C)C1=C(C(C)(C)C)NCC1C(C)(C)C
InChIInChI=1S/C15H29N/c1-10(2)12-11(14(3,4)5)9-16-13(12)15(6,7)8/h10-11,16H,9H2,1-8H3
InChIKeyVXSVAUNXXRZMOG-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-4-propan-2-yl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 3,5-ditert-butyl-4-propan-2-yl-2,3-dihydro-1H-pyrrole (CID 59616691) is 3,5-ditert-butyl-4-propan-2-yl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 3,5-ditert-butyl-4-propan-2-yl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 3,5-ditert-butyl-4-propan-2-yl-2,3-dihydro-1H-pyrrole is CC(C)C1=C(C(C)(C)C)NCC1C(C)(C)C.
What is the InChIKey of 3,5-ditert-butyl-4-propan-2-yl-2,3-dihydro-1H-pyrrole?
The InChIKey is VXSVAUNXXRZMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-10(2)12-11(14(3,4)5)9-16-13(12)15(6,7)8/h10-11,16H,9H2,1-8H3.
What are the key properties of 3,5-ditert-butyl-4-propan-2-yl-2,3-dihydro-1H-pyrrole?
3,5-ditert-butyl-4-propan-2-yl-2,3-dihydro-1H-pyrrole has a molecular weight of 223.40 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-4-propan-2-yl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 59616691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).