5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole

C10H17N — CID 129288136

IUPAC5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole
SMILESC=C1CN=C(C(C)(C)C)C1C
InChIInChI=1S/C10H17N/c1-7-6-11-9(8(7)2)10(3,4)5/h8H,1,6H2,2-5H3
InChIKeyHHGIDGQQBZLUCR-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.68
Rot. Bonds

About 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole

5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole (PubChem CID 129288136) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole.

Molecular Properties

Compound Name5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole
PubChem CID129288136
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole
SMILESC=C1CN=C(C(C)(C)C)C1C
InChIInChI=1S/C10H17N/c1-7-6-11-9(8(7)2)10(3,4)5/h8H,1,6H2,2-5H3
InChIKeyHHGIDGQQBZLUCR-UHFFFAOYSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.68
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-methyl-3-(2,3,3-trimethylbutyl)-2H-pyrrole
CID 58051750
5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole
CID 91088690
2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole
CID 91113963
4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 91316764
N,3,3,5,6-pentamethylhept-6-en-2-imine
CID 123186995
5,6-dimethyl-5-prop-2-enyl-3,4-dihydro-2H-pyridine
CID 123379998
N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine
CID 123459444
3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine
CID 123648430
4-(3,3-dimethylbutyl)-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 126595087
N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine
CID 126695537
3,3-Diethyl-5-(4-methyl-4-prop-1-en-2-ylheptyl)-2,4-dihydropyrrole
CID 129143130
3-heptyl-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 129215632

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole?
The IUPAC name of 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole (CID 129288136) is 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole.
What is the SMILES notation for 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole?
The canonical SMILES for 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole is C=C1CN=C(C(C)(C)C)C1C.
What is the InChIKey of 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole?
The InChIKey is HHGIDGQQBZLUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7-6-11-9(8(7)2)10(3,4)5/h8H,1,6H2,2-5H3.
What are the key properties of 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole?
5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole is sourced from PubChem (CID 129288136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).