(2S)-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole

C8H15N — CID 89393747

IUPAC(2S)-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole
SMILESCC(C)C1=CC[C@H](C)N1
InChIInChI=1S/C8H15N/c1-6(2)8-5-4-7(3)9-8/h5-7,9H,4H2,1-3H3/t7-/m0/s1
InChIKeyKKTYNSJGDDKTHC-ZETCQYMHSA-N
MW125.21 g/mol
LogP1.91
Rot. Bonds1

About (2S)-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole

(2S)-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole (PubChem CID 89393747) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (2S)-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name(2S)-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole
PubChem CID89393747
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(2S)-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole
SMILESCC(C)C1=CC[C@H](C)N1
InChIInChI=1S/C8H15N/c1-6(2)8-5-4-7(3)9-8/h5-7,9H,4H2,1-3H3/t7-/m0/s1
InChIKeyKKTYNSJGDDKTHC-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole?
The IUPAC name of (2S)-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole (CID 89393747) is (2S)-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for (2S)-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for (2S)-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole is CC(C)C1=CC[C@H](C)N1.
What is the InChIKey of (2S)-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole?
The InChIKey is KKTYNSJGDDKTHC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15N/c1-6(2)8-5-4-7(3)9-8/h5-7,9H,4H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole?
(2S)-2-methyl-5-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 (2S)-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 89393747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).