2,2-di(propan-2-yl)-1,3-dihydropyrrole

C10H19N — CID 58055981

IUPAC2,2-di(propan-2-yl)-1,3-dihydropyrrole
SMILESCC(C)C1(C(C)C)CC=CN1
InChIInChI=1S/C10H19N/c1-8(2)10(9(3)4)6-5-7-11-10/h5,7-9,11H,6H2,1-4H3
InChIKeyKXFAWLBDNDUSAG-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.54
Rot. Bonds2

About 2,2-di(propan-2-yl)-1,3-dihydropyrrole

2,2-di(propan-2-yl)-1,3-dihydropyrrole (PubChem CID 58055981) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,2-di(propan-2-yl)-1,3-dihydropyrrole.

Molecular Properties

Compound Name2,2-di(propan-2-yl)-1,3-dihydropyrrole
PubChem CID58055981
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,2-di(propan-2-yl)-1,3-dihydropyrrole
SMILESCC(C)C1(C(C)C)CC=CN1
InChIInChI=1S/C10H19N/c1-8(2)10(9(3)4)6-5-7-11-10/h5,7-9,11H,6H2,1-4H3
InChIKeyKXFAWLBDNDUSAG-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-di(propan-2-yl)-1,3-dihydropyrrole?
The IUPAC name of 2,2-di(propan-2-yl)-1,3-dihydropyrrole (CID 58055981) is 2,2-di(propan-2-yl)-1,3-dihydropyrrole.
What is the SMILES notation for 2,2-di(propan-2-yl)-1,3-dihydropyrrole?
The canonical SMILES for 2,2-di(propan-2-yl)-1,3-dihydropyrrole is CC(C)C1(C(C)C)CC=CN1.
What is the InChIKey of 2,2-di(propan-2-yl)-1,3-dihydropyrrole?
The InChIKey is KXFAWLBDNDUSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)10(9(3)4)6-5-7-11-10/h5,7-9,11H,6H2,1-4H3.
What are the key properties of 2,2-di(propan-2-yl)-1,3-dihydropyrrole?
2,2-di(propan-2-yl)-1,3-dihydropyrrole has a molecular weight of 153.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(propan-2-yl)-1,3-dihydropyrrole is sourced from PubChem (CID 58055981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).