1-ethyl-3,4,5-trimethyl-2,3-dihydropyrrole

C9H17N — CID 59801875

IUPAC1-ethyl-3,4,5-trimethyl-2,3-dihydropyrrole
SMILESCCN1CC(C)C(C)=C1C
InChIInChI=1S/C9H17N/c1-5-10-6-7(2)8(3)9(10)4/h7H,5-6H2,1-4H3
InChIKeyWMVTXTUOUCVNLD-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds1

About 1-ethyl-3,4,5-trimethyl-2,3-dihydropyrrole

1-ethyl-3,4,5-trimethyl-2,3-dihydropyrrole (PubChem CID 59801875) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-ethyl-3,4,5-trimethyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-ethyl-3,4,5-trimethyl-2,3-dihydropyrrole
PubChem CID59801875
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-ethyl-3,4,5-trimethyl-2,3-dihydropyrrole
SMILESCCN1CC(C)C(C)=C1C
InChIInChI=1S/C9H17N/c1-5-10-6-7(2)8(3)9(10)4/h7H,5-6H2,1-4H3
InChIKeyWMVTXTUOUCVNLD-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4,5-trimethyl-2,3-dihydropyrrole?
The IUPAC name of 1-ethyl-3,4,5-trimethyl-2,3-dihydropyrrole (CID 59801875) is 1-ethyl-3,4,5-trimethyl-2,3-dihydropyrrole.
What is the SMILES notation for 1-ethyl-3,4,5-trimethyl-2,3-dihydropyrrole?
The canonical SMILES for 1-ethyl-3,4,5-trimethyl-2,3-dihydropyrrole is CCN1CC(C)C(C)=C1C.
What is the InChIKey of 1-ethyl-3,4,5-trimethyl-2,3-dihydropyrrole?
The InChIKey is WMVTXTUOUCVNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-5-10-6-7(2)8(3)9(10)4/h7H,5-6H2,1-4H3.
What are the key properties of 1-ethyl-3,4,5-trimethyl-2,3-dihydropyrrole?
1-ethyl-3,4,5-trimethyl-2,3-dihydropyrrole has a molecular weight of 139.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4,5-trimethyl-2,3-dihydropyrrole is sourced from PubChem (CID 59801875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).