2,3,5-trimethyl-2,3-dihydro-1H-pyrrole

C7H13N — CID 20709743

IUPAC2,3,5-trimethyl-2,3-dihydro-1H-pyrrole
SMILESCC1=CC(C)C(C)N1
InChIInChI=1S/C7H13N/c1-5-4-6(2)8-7(5)3/h4-5,7-8H,1-3H3
InChIKeyORALGMAFRVFOBJ-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.52
Rot. Bonds

About 2,3,5-trimethyl-2,3-dihydro-1H-pyrrole

2,3,5-trimethyl-2,3-dihydro-1H-pyrrole (PubChem CID 20709743) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2,3,5-trimethyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2,3,5-trimethyl-2,3-dihydro-1H-pyrrole
PubChem CID20709743
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2,3,5-trimethyl-2,3-dihydro-1H-pyrrole
SMILESCC1=CC(C)C(C)N1
InChIInChI=1S/C7H13N/c1-5-4-6(2)8-7(5)3/h4-5,7-8H,1-3H3
InChIKeyORALGMAFRVFOBJ-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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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Related Compounds

2-Pyrroline, 2-ethyl-
CID 23422339
2,5-dimethyl-2,3-dihydro-1H-pyrrole
CID 22048502
3,3,5-Trimethyl-1,2-dihydropyrrole
CID 12647060
5-methyl-2,3-dihydro-1H-pyrrole
CID 19816704
4-Dihydro-2,4-dihydro-2,4,6-tri-methylpyridine
CID 21326805
3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole
CID 174532269
2-n-Propyl-4-ethylpyrroline
CID 129804295
2-n-Propyl-4-methylpyrroline
CID 129804360
2-n-Propyl-5-methylpyrroline
CID 129878441
2-n-Propyl-5-ethylpyrroline
CID 129878460
(E)-N-ethyl-4-methylpent-2-en-3-amine
CID 17800491
5-cyclopropyl-2,3-dihydro-1H-pyrrole
CID 19067912

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 2,3,5-trimethyl-2,3-dihydro-1H-pyrrole (CID 20709743) is 2,3,5-trimethyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 2,3,5-trimethyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 2,3,5-trimethyl-2,3-dihydro-1H-pyrrole is CC1=CC(C)C(C)N1.
What is the InChIKey of 2,3,5-trimethyl-2,3-dihydro-1H-pyrrole?
The InChIKey is ORALGMAFRVFOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-4-6(2)8-7(5)3/h4-5,7-8H,1-3H3.
What are the key properties of 2,3,5-trimethyl-2,3-dihydro-1H-pyrrole?
2,3,5-trimethyl-2,3-dihydro-1H-pyrrole has a molecular weight of 111.19 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 20709743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).