5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole

C7H11N — CID 130389361

IUPAC5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole
SMILESC=CC1=NCC(C)C1
InChIInChI=1S/C7H11N/c1-3-7-4-6(2)5-8-7/h3,6H,1,4-5H2,2H3
InChIKeyPVYBLPSLKMNWMK-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.65
Rot. Bonds1

About 5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole

5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole (PubChem CID 130389361) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole
PubChem CID130389361
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole
SMILESC=CC1=NCC(C)C1
InChIInChI=1S/C7H11N/c1-3-7-4-6(2)5-8-7/h3,6H,1,4-5H2,2H3
InChIKeyPVYBLPSLKMNWMK-UHFFFAOYSA-N
XLogP1.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethenyl-3,4-dihydro-2H-pyrrole
CID 21982891
N-hexyl-4-methylpent-1-en-3-imine
CID 123163517
N-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine
CID 123592884
4-methyl-N-pentylpent-1-en-3-imine
CID 123625020
4-methyl-N-pentylhepta-1,6-dien-3-imine
CID 123951338
5-ethenyl-2-methyl-3,4-dihydro-2H-pyrrole
CID 141258835
5-Ethenyl-3,3-dimethyl-2,4-dihydropyrrole
CID 141258836
4-Ethenyl-2,3-dimethyl-2,3-dihydroazete
CID 163815982
5-ethenyl-3-propyl-3,4-dihydro-2H-pyrrole
CID 170211113
N-hex-5-enyl-4-methylpentan-2-imine
CID 174852139

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole (CID 130389361) is 5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole is C=CC1=NCC(C)C1.
What is the InChIKey of 5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole?
The InChIKey is PVYBLPSLKMNWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-3-7-4-6(2)5-8-7/h3,6H,1,4-5H2,2H3.
What are the key properties of 5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole?
5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 130389361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).