(2R,3R)-1,2,3-trimethyl-2,3-dihydropyrrole

C7H13N — CID 59379147

IUPAC(2R,3R)-1,2,3-trimethyl-2,3-dihydropyrrole
SMILESC[C@@H]1C=CN(C)[C@@H]1C
InChIInChI=1S/C7H13N/c1-6-4-5-8(3)7(6)2/h4-7H,1-3H3/t6-,7-/m1/s1
InChIKeyONCZDGIVDLLNKD-RNFRBKRXSA-N
MW111.19 g/mol
LogP1.47
Rot. Bonds

About (2R,3R)-1,2,3-trimethyl-2,3-dihydropyrrole

(2R,3R)-1,2,3-trimethyl-2,3-dihydropyrrole (PubChem CID 59379147) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (2R,3R)-1,2,3-trimethyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name(2R,3R)-1,2,3-trimethyl-2,3-dihydropyrrole
PubChem CID59379147
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(2R,3R)-1,2,3-trimethyl-2,3-dihydropyrrole
SMILESC[C@@H]1C=CN(C)[C@@H]1C
InChIInChI=1S/C7H13N/c1-6-4-5-8(3)7(6)2/h4-7H,1-3H3/t6-,7-/m1/s1
InChIKeyONCZDGIVDLLNKD-RNFRBKRXSA-N
XLogP1.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,2,3-trimethyl-2,3-dihydropyrrole?
The IUPAC name of (2R,3R)-1,2,3-trimethyl-2,3-dihydropyrrole (CID 59379147) is (2R,3R)-1,2,3-trimethyl-2,3-dihydropyrrole.
What is the SMILES notation for (2R,3R)-1,2,3-trimethyl-2,3-dihydropyrrole?
The canonical SMILES for (2R,3R)-1,2,3-trimethyl-2,3-dihydropyrrole is C[C@@H]1C=CN(C)[C@@H]1C.
What is the InChIKey of (2R,3R)-1,2,3-trimethyl-2,3-dihydropyrrole?
The InChIKey is ONCZDGIVDLLNKD-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13N/c1-6-4-5-8(3)7(6)2/h4-7H,1-3H3/t6-,7-/m1/s1.
What are the key properties of (2R,3R)-1,2,3-trimethyl-2,3-dihydropyrrole?
(2R,3R)-1,2,3-trimethyl-2,3-dihydropyrrole has a molecular weight of 111.19 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,2,3-trimethyl-2,3-dihydropyrrole is sourced from PubChem (CID 59379147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).