4-methyl-5-[(2R)-pentan-2-yl]-2,3-dihydro-1H-pyrrole

C10H19N — CID 89394643

IUPAC4-methyl-5-[(2R)-pentan-2-yl]-2,3-dihydro-1H-pyrrole
SMILESCCC[C@@H](C)C1=C(C)CCN1
InChIInChI=1S/C10H19N/c1-4-5-8(2)10-9(3)6-7-11-10/h8,11H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyKUKVJGWJLWFTDX-MRVPVSSYSA-N
MW153.27 g/mol
LogP2.69
Rot. Bonds3

About 4-methyl-5-[(2R)-pentan-2-yl]-2,3-dihydro-1H-pyrrole

4-methyl-5-[(2R)-pentan-2-yl]-2,3-dihydro-1H-pyrrole (PubChem CID 89394643) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 4-methyl-5-[(2R)-pentan-2-yl]-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name4-methyl-5-[(2R)-pentan-2-yl]-2,3-dihydro-1H-pyrrole
PubChem CID89394643
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name4-methyl-5-[(2R)-pentan-2-yl]-2,3-dihydro-1H-pyrrole
SMILESCCC[C@@H](C)C1=C(C)CCN1
InChIInChI=1S/C10H19N/c1-4-5-8(2)10-9(3)6-7-11-10/h8,11H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyKUKVJGWJLWFTDX-MRVPVSSYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2R)-pentan-2-yl]-2,3-dihydro-1H-pyrrole?
The IUPAC name of 4-methyl-5-[(2R)-pentan-2-yl]-2,3-dihydro-1H-pyrrole (CID 89394643) is 4-methyl-5-[(2R)-pentan-2-yl]-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 4-methyl-5-[(2R)-pentan-2-yl]-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 4-methyl-5-[(2R)-pentan-2-yl]-2,3-dihydro-1H-pyrrole is CCC[C@@H](C)C1=C(C)CCN1.
What is the InChIKey of 4-methyl-5-[(2R)-pentan-2-yl]-2,3-dihydro-1H-pyrrole?
The InChIKey is KUKVJGWJLWFTDX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-5-8(2)10-9(3)6-7-11-10/h8,11H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of 4-methyl-5-[(2R)-pentan-2-yl]-2,3-dihydro-1H-pyrrole?
4-methyl-5-[(2R)-pentan-2-yl]-2,3-dihydro-1H-pyrrole has a molecular weight of 153.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2R)-pentan-2-yl]-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 89394643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).