4-methyl-5-prop-1-enyl-3,4-dihydro-2H-pyrrole

C8H13N — CID 123554893

IUPAC4-methyl-5-prop-1-enyl-3,4-dihydro-2H-pyrrole
SMILESCC=CC1=NCCC1C
InChIInChI=1S/C8H13N/c1-3-4-8-7(2)5-6-9-8/h3-4,7H,5-6H2,1-2H3
InChIKeyOZUITSISNGAASR-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.04
Rot. Bonds1

About 4-methyl-5-prop-1-enyl-3,4-dihydro-2H-pyrrole

4-methyl-5-prop-1-enyl-3,4-dihydro-2H-pyrrole (PubChem CID 123554893) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 4-methyl-5-prop-1-enyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name4-methyl-5-prop-1-enyl-3,4-dihydro-2H-pyrrole
PubChem CID123554893
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name4-methyl-5-prop-1-enyl-3,4-dihydro-2H-pyrrole
SMILESCC=CC1=NCCC1C
InChIInChI=1S/C8H13N/c1-3-4-8-7(2)5-6-9-8/h3-4,7H,5-6H2,1-2H3
InChIKeyOZUITSISNGAASR-UHFFFAOYSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(4Z,9Z)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
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CID 90829219
(3aR,4Z,9Z,10aS)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
CID 102274163
3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine
CID 164669517
6-[(2S)-butan-2-yl]-3-fluoro-2,3-dihydropyridine
CID 144060408
3-methyl-5-[(1E,3E)-penta-1,3-dienyl]-3,4-dihydro-2H-pyrrole
CID 162856210
5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
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CID 18736790

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-prop-1-enyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 4-methyl-5-prop-1-enyl-3,4-dihydro-2H-pyrrole (CID 123554893) is 4-methyl-5-prop-1-enyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 4-methyl-5-prop-1-enyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 4-methyl-5-prop-1-enyl-3,4-dihydro-2H-pyrrole is CC=CC1=NCCC1C.
What is the InChIKey of 4-methyl-5-prop-1-enyl-3,4-dihydro-2H-pyrrole?
The InChIKey is OZUITSISNGAASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-4-8-7(2)5-6-9-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 4-methyl-5-prop-1-enyl-3,4-dihydro-2H-pyrrole?
4-methyl-5-prop-1-enyl-3,4-dihydro-2H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-prop-1-enyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 123554893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).