3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane

C8H17N — CID 91030632

IUPAC3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane
SMILESCC.CC1=NCC(C)C1
InChIInChI=1S/C6H11N.C2H6/c1-5-3-6(2)7-4-5;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyWHOCZNZCJXUDME-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.51
Rot. Bonds

About 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane

3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane (PubChem CID 91030632) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane.

Molecular Properties

Compound Name3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane
PubChem CID91030632
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane
SMILESCC.CC1=NCC(C)C1
InChIInChI=1S/C6H11N.C2H6/c1-5-3-6(2)7-4-5;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyWHOCZNZCJXUDME-UHFFFAOYSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-3,4-dihydro-2H-pyrrol-3-ol
CID 175914585
5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole
CID 142128899
2,5-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine
CID 55299106
2,4,6-trimethyl-4,5-dihydro-3H-pyridazine
CID 154358308
5,7-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine
CID 12726071
6-methyl-3a,4,7,7a-tetrahydro-[1,3]oxathiolo[4,5-c]pyridine
CID 91493013
5,7-dimethyl-5,6-dihydro-2H-1,4-diazepine
CID 11615164
N-(2,3-dimethylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine
CID 70980197
3-hydroxy-5,5-dimethyl-2-(3-methyl-3,4-dihydro-2H-pyrrol-5-yl)cyclohex-2-en-1-one
CID 135759156
(5S)-3,5-dimethyl-4,5-dihydropyridazine
CID 89495190
3-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole
CID 101496554
3,5-dimethyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane
CID 145221517

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane?
The IUPAC name of 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane (CID 91030632) is 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane.
What is the SMILES notation for 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane?
The canonical SMILES for 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane is CC.CC1=NCC(C)C1.
What is the InChIKey of 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane?
The InChIKey is WHOCZNZCJXUDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C2H6/c1-5-3-6(2)7-4-5;1-2/h5H,3-4H2,1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane?
3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane has a molecular weight of 127.23 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3,4-dihydro-2H-pyrrole;ethane is sourced from PubChem (CID 91030632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).