(2S,3S)-2,3-dimethyl-2,3-dihydro-1H-pyrrole

C6H11N — CID 58811647

IUPAC(2S,3S)-2,3-dimethyl-2,3-dihydro-1H-pyrrole
SMILESC[C@@H]1NC=C[C@@H]1C
InChIInChI=1S/C6H11N/c1-5-3-4-7-6(5)2/h3-7H,1-2H3/t5-,6-/m0/s1
InChIKeyJWMGQAVBJUCNGH-WDSKDSINSA-N
MW97.16 g/mol
LogP1.13
Rot. Bonds

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

(2S,3S)-2,3-dimethyl-2,3-dihydro-1H-pyrrole (PubChem CID 58811647) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (2S,3S)-2,3-dimethyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name(2S,3S)-2,3-dimethyl-2,3-dihydro-1H-pyrrole
PubChem CID58811647
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(2S,3S)-2,3-dimethyl-2,3-dihydro-1H-pyrrole
SMILESC[C@@H]1NC=C[C@@H]1C
InChIInChI=1S/C6H11N/c1-5-3-4-7-6(5)2/h3-7H,1-2H3/t5-,6-/m0/s1
InChIKeyJWMGQAVBJUCNGH-WDSKDSINSA-N
XLogP1.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(+)-2,3-Dihydro-3-methyl-1H-pyrrole
CID 22419314
5-Methylpyrroline
CID 14620016
4-Methyltetrahydropyridine
CID 21432697
5,5-Dimethylpyrroline
CID 22455999
3-Methyltetrahydropyridine
CID 22630110
1,2,3-Trimethyl-2,3-dihydropyrrole
CID 22893886
N,4-dimethylpent-1-en-3-amine
CID 65574882
4-Vinyl-pyrroline
CID 154585398
2-methyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
CID 175382933
(E)-N-ethyl-3-methylbut-1-en-1-amine
CID 15570745
2,3-dimethyl-2,3-dihydro-1H-pyrrole
CID 20227776
2-ethyl-2,3-dihydro-1H-pyrrole
CID 21411194

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dimethyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of (2S,3S)-2,3-dimethyl-2,3-dihydro-1H-pyrrole (CID 58811647) is (2S,3S)-2,3-dimethyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for (2S,3S)-2,3-dimethyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for (2S,3S)-2,3-dimethyl-2,3-dihydro-1H-pyrrole is C[C@@H]1NC=C[C@@H]1C.
What is the InChIKey of (2S,3S)-2,3-dimethyl-2,3-dihydro-1H-pyrrole?
The InChIKey is JWMGQAVBJUCNGH-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11N/c1-5-3-4-7-6(5)2/h3-7H,1-2H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2,3-dimethyl-2,3-dihydro-1H-pyrrole?
(2S,3S)-2,3-dimethyl-2,3-dihydro-1H-pyrrole has a molecular weight of 97.16 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dimethyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 58811647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).