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

C8H13N — CID 91059657

IUPAC2-methyl-3-prop-1-enyl-3,4-dihydro-2H-pyrrole
SMILESCC=CC1CC=NC1C
InChIInChI=1S/C8H13N/c1-3-4-8-5-6-9-7(8)2/h3-4,6-8H,5H2,1-2H3
InChIKeyARBRZAAYEUOQOM-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.04
Rot. Bonds1

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

2-methyl-3-prop-1-enyl-3,4-dihydro-2H-pyrrole (PubChem CID 91059657) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-methyl-3-prop-1-enyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-methyl-3-prop-1-enyl-3,4-dihydro-2H-pyrrole
PubChem CID91059657
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-methyl-3-prop-1-enyl-3,4-dihydro-2H-pyrrole
SMILESCC=CC1CC=NC1C
InChIInChI=1S/C8H13N/c1-3-4-8-5-6-9-7(8)2/h3-4,6-8H,5H2,1-2H3
InChIKeyARBRZAAYEUOQOM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
2-Azabicyclo[3.2.0]hepta-2,6-diene
CID 15130600
5-(2-methylpropyl)-3H-pyrrole
CID 22094961
2,3,4-Trimethyl-2,3-dihydropyridine
CID 53836102
3-Methyl-12-(3-penten-2-yl)-1-aza-1,5,9-cyclododecatriene
CID 54073519
2-Cyclopropyl-2,5-dihydropyridine
CID 54163106
2-But-2-enyl-2-ethylpyrrole
CID 57004955
2-Propan-2-yl-2,5-dihydropyridine
CID 57314007
3a,7a-dihydro-3H-indole
CID 57316999
5,7a-dihydro-4aH-cyclopenta[b]pyridine
CID 58270246
2,3-Bis(prop-2-enyl)-2,3-dihydropyridine
CID 67802550
(3S)-2,3,4-trimethyl-2,3-dihydropyridine
CID 68030579

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-1-enyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-methyl-3-prop-1-enyl-3,4-dihydro-2H-pyrrole (CID 91059657) is 2-methyl-3-prop-1-enyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-methyl-3-prop-1-enyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-methyl-3-prop-1-enyl-3,4-dihydro-2H-pyrrole is CC=CC1CC=NC1C.
What is the InChIKey of 2-methyl-3-prop-1-enyl-3,4-dihydro-2H-pyrrole?
The InChIKey is ARBRZAAYEUOQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-4-8-5-6-9-7(8)2/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 2-methyl-3-prop-1-enyl-3,4-dihydro-2H-pyrrole?
2-methyl-3-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 2-methyl-3-prop-1-enyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 91059657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).