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

C7H13N — CID 59252964

IUPAC(2S)-2-propan-2-yl-2,3-dihydro-1H-pyrrole
SMILESCC(C)[C@@H]1CC=CN1
InChIInChI=1S/C7H13N/c1-6(2)7-4-3-5-8-7/h3,5-8H,4H2,1-2H3/t7-/m0/s1
InChIKeyCDIULFWKTCDROR-ZETCQYMHSA-N
MW111.19 g/mol
LogP1.52
Rot. Bonds1

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

(2S)-2-propan-2-yl-2,3-dihydro-1H-pyrrole (PubChem CID 59252964) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (2S)-2-propan-2-yl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name(2S)-2-propan-2-yl-2,3-dihydro-1H-pyrrole
PubChem CID59252964
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(2S)-2-propan-2-yl-2,3-dihydro-1H-pyrrole
SMILESCC(C)[C@@H]1CC=CN1
InChIInChI=1S/C7H13N/c1-6(2)7-4-3-5-8-7/h3,5-8H,4H2,1-2H3/t7-/m0/s1
InChIKeyCDIULFWKTCDROR-ZETCQYMHSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-propan-2-yl-2,3-dihydro-1H-pyrrole?
The IUPAC name of (2S)-2-propan-2-yl-2,3-dihydro-1H-pyrrole (CID 59252964) is (2S)-2-propan-2-yl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for (2S)-2-propan-2-yl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for (2S)-2-propan-2-yl-2,3-dihydro-1H-pyrrole is CC(C)[C@@H]1CC=CN1.
What is the InChIKey of (2S)-2-propan-2-yl-2,3-dihydro-1H-pyrrole?
The InChIKey is CDIULFWKTCDROR-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13N/c1-6(2)7-4-3-5-8-7/h3,5-8H,4H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-propan-2-yl-2,3-dihydro-1H-pyrrole?
(2S)-2-propan-2-yl-2,3-dihydro-1H-pyrrole has a molecular weight of 111.19 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propan-2-yl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 59252964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).