4-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole

C8H15N — CID 129068150

IUPAC4-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole
SMILESCC1=CNC(C(C)C)C1
InChIInChI=1S/C8H15N/c1-6(2)8-4-7(3)5-9-8/h5-6,8-9H,4H2,1-3H3
InChIKeyRPVFAWBBARVPFF-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.91
Rot. Bonds1

About 4-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole

4-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole (PubChem CID 129068150) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole
PubChem CID129068150
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name4-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole
SMILESCC1=CNC(C(C)C)C1
InChIInChI=1S/C8H15N/c1-6(2)8-4-7(3)5-9-8/h5-6,8-9H,4H2,1-3H3
InChIKeyRPVFAWBBARVPFF-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-4-fluoro-3-propyl-2,3-dihydro-1H-pyrrole
CID 141793033
2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79179359
2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine
CID 134994094
2,4-dimethyl-2,3-dihydro-1H-pyrrole
CID 20227741
2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole
CID 22965808
N,2,3-trimethylcyclopent-3-en-1-amine
CID 56995649
N,2,4-trimethylcyclopent-3-en-1-amine
CID 57090878
3-(2-methylpropyl)-4-propan-2-yl-2,3-dihydro-1H-pyrrole
CID 59142831
5-Propan-2-yl-1,2,3,4-tetrahydropyridine
CID 59492428
2,3,4-Trimethyl-1,2-dihydropyrrol-3-ide;yttrium
CID 59747544
2,3,4-trimethyl-2,3-dihydro-1H-pyrrole
CID 59747545
1-(2,3-dihydro-1H-pyrrol-4-yl)propan-2-amine
CID 59872561

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 4-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole (CID 129068150) is 4-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 4-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 4-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole is CC1=CNC(C(C)C)C1.
What is the InChIKey of 4-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole?
The InChIKey is RPVFAWBBARVPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6(2)8-4-7(3)5-9-8/h5-6,8-9H,4H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole?
4-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole has a molecular weight of 125.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 129068150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).