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

C7H11N — CID 141258835

IUPAC5-ethenyl-2-methyl-3,4-dihydro-2H-pyrrole
SMILESC=CC1=NC(C)CC1
InChIInChI=1S/C7H11N/c1-3-7-5-4-6(2)8-7/h3,6H,1,4-5H2,2H3
InChIKeyVPYJRAVZWKIINT-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds1

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

5-ethenyl-2-methyl-3,4-dihydro-2H-pyrrole (PubChem CID 141258835) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 5-ethenyl-2-methyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-ethenyl-2-methyl-3,4-dihydro-2H-pyrrole
PubChem CID141258835
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name5-ethenyl-2-methyl-3,4-dihydro-2H-pyrrole
SMILESC=CC1=NC(C)CC1
InChIInChI=1S/C7H11N/c1-3-7-5-4-6(2)8-7/h3,6H,1,4-5H2,2H3
InChIKeyVPYJRAVZWKIINT-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethenyl-3,4-dihydro-2H-pyrrole
CID 21982891
5-ethenyl-4-fluoro-3,4-dihydro-2H-pyrrole
CID 70039699
7-ethenyl-3,4,5,6-tetrahydro-2H-azepine
CID 134988764
5-but-3-enyl-3,4-dihydro-2H-pyrrole
CID 11571799
5-hex-5-enyl-2-pentyl-3,4-dihydro-2H-pyrrole
CID 20368617
5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 21137936
5-prop-2-enyl-3,4-dihydro-2H-pyrrole
CID 68557420
2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole
CID 70627872
4-N-hexan-2-ylhex-5-ene-2,4-diimine
CID 123670122
N-cyclohexylpent-1-en-3-imine
CID 123703101
5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole
CID 130389361
5-prop-1-enyl-3,4-dihydro-2H-pyrrole
CID 141150599

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-ethenyl-2-methyl-3,4-dihydro-2H-pyrrole (CID 141258835) is 5-ethenyl-2-methyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-ethenyl-2-methyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-ethenyl-2-methyl-3,4-dihydro-2H-pyrrole is C=CC1=NC(C)CC1.
What is the InChIKey of 5-ethenyl-2-methyl-3,4-dihydro-2H-pyrrole?
The InChIKey is VPYJRAVZWKIINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-3-7-5-4-6(2)8-7/h3,6H,1,4-5H2,2H3.
What are the key properties of 5-ethenyl-2-methyl-3,4-dihydro-2H-pyrrole?
5-ethenyl-2-methyl-3,4-dihydro-2H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 141258835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).