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

C10H19N — CID 58056057

IUPAC3,3-di(propan-2-yl)-1,2-dihydropyrrole
SMILESCC(C)C1(C(C)C)C=CNC1
InChIInChI=1S/C10H19N/c1-8(2)10(9(3)4)5-6-11-7-10/h5-6,8-9,11H,7H2,1-4H3
InChIKeyNTHBQBDDOJNHIM-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.40
Rot. Bonds2

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

3,3-di(propan-2-yl)-1,2-dihydropyrrole (PubChem CID 58056057) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3,3-di(propan-2-yl)-1,2-dihydropyrrole.

Molecular Properties

Compound Name3,3-di(propan-2-yl)-1,2-dihydropyrrole
PubChem CID58056057
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3,3-di(propan-2-yl)-1,2-dihydropyrrole
SMILESCC(C)C1(C(C)C)C=CNC1
InChIInChI=1S/C10H19N/c1-8(2)10(9(3)4)5-6-11-7-10/h5-6,8-9,11H,7H2,1-4H3
InChIKeyNTHBQBDDOJNHIM-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-di(propan-2-yl)-1,2-dihydropyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole
CID 22965808
2,2-Di(propan-2-yl)-1,3-dihydropyrrole
CID 58055981
3,3-di(propan-2-yl)-2,4-dihydro-1H-pyridine
CID 58055997
3-tert-butyl-2,3-dihydro-1H-pyrrole
CID 58312075
2,3-ditert-butyl-2,3-dihydro-1H-pyrrole
CID 59299149
4-Tert-butyl-1,2,3,4-tetrahydropyridine
CID 59918158
4-tert-butyl-4-methyl-2,3-dihydro-1H-pyridine
CID 59918160
3,3,5-Trimethyl-1,2,4,5-tetrahydroazepine
CID 67592902
3-Methyl-3-propan-2-yl-1,2-dihydropyrrole
CID 68060336
4-methyl-4-propan-2-yl-2,3-dihydro-1H-pyridine
CID 68060341
2-tert-butyl-3-ethyl-2,3-dihydro-1H-pyrrole
CID 89140891
N,3,4-trimethyl-3-propan-2-ylpent-1-en-2-amine
CID 89279254

Frequently Asked Questions

What is the IUPAC name of 3,3-di(propan-2-yl)-1,2-dihydropyrrole?
The IUPAC name of 3,3-di(propan-2-yl)-1,2-dihydropyrrole (CID 58056057) is 3,3-di(propan-2-yl)-1,2-dihydropyrrole.
What is the SMILES notation for 3,3-di(propan-2-yl)-1,2-dihydropyrrole?
The canonical SMILES for 3,3-di(propan-2-yl)-1,2-dihydropyrrole is CC(C)C1(C(C)C)C=CNC1.
What is the InChIKey of 3,3-di(propan-2-yl)-1,2-dihydropyrrole?
The InChIKey is NTHBQBDDOJNHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)10(9(3)4)5-6-11-7-10/h5-6,8-9,11H,7H2,1-4H3.
What are the key properties of 3,3-di(propan-2-yl)-1,2-dihydropyrrole?
3,3-di(propan-2-yl)-1,2-dihydropyrrole has a molecular weight of 153.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(propan-2-yl)-1,2-dihydropyrrole is sourced from PubChem (CID 58056057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).