4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole

C9H15N — CID 91316764

IUPAC4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
SMILESC=C(C)C1CC(C)C(C)=N1
InChIInChI=1S/C9H15N/c1-6(2)9-5-7(3)8(4)10-9/h7,9H,1,5H2,2-4H3
InChIKeyVSBGUVGIRLEYBW-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds1

About 4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole

4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole (PubChem CID 91316764) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
PubChem CID91316764
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
SMILESC=C(C)C1CC(C)C(C)=N1
InChIInChI=1S/C9H15N/c1-6(2)9-5-7(3)8(4)10-9/h7,9H,1,5H2,2-4H3
InChIKeyVSBGUVGIRLEYBW-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
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

5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole
CID 134864048
2,5-Dimethyl-3-methylidene-2,4-dihydropyrrole
CID 20663941
2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole
CID 91113963
5-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 102498818
N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine
CID 123459444
2,3,6-trimethyl-4-methylidene-5-propan-2-yl-3,5-dihydro-2H-pyridine
CID 126591328
N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine
CID 126695537
3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 129215632
5-Tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole
CID 129288136
N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine
CID 134526755
5-ethyl-3-(2-methyl-4-methylideneheptan-3-yl)-3,4-dihydro-2H-pyrrole
CID 137453466
N-(4-methyl-3-methylidenehexan-2-yl)ethanimine
CID 137536264

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole (CID 91316764) is 4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole is C=C(C)C1CC(C)C(C)=N1.
What is the InChIKey of 4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole?
The InChIKey is VSBGUVGIRLEYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-6(2)9-5-7(3)8(4)10-9/h7,9H,1,5H2,2-4H3.
What are the key properties of 4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole?
4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 91316764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).