2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole

C9H15N — CID 91113963

IUPAC2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole
SMILESC=C1C(C)=NC(C)C1(C)C
InChIInChI=1S/C9H15N/c1-6-7(2)10-8(3)9(6,4)5/h8H,1H2,2-5H3
InChIKeyJZNKDSKNVLRGLO-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds

About 2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole

2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole (PubChem CID 91113963) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole.

Molecular Properties

Compound Name2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole
PubChem CID91113963
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole
SMILESC=C1C(C)=NC(C)C1(C)C
InChIInChI=1S/C9H15N/c1-6-7(2)10-8(3)9(6,4)5/h8H,1H2,2-5H3
InChIKeyJZNKDSKNVLRGLO-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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

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Related Compounds

(4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole
CID 90739607
5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole
CID 91088690
4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 91316764
3,3,5-trimethyl-4-methylidene-2H-pyrrole
CID 123236228
4-(3,3-dimethylbutyl)-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 126595087
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
3,3-Dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole
CID 141227467
5-Ethenyl-3,3-dimethyl-2,4-dihydropyrrole
CID 141258836
ethane;2,3,3,5-tetramethyl-4-methylidene-2H-pyrrol-1-ium
CID 144196346
3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine
CID 167253194
N-[(2R)-5,5-dimethyl-4-methylidenehexan-2-yl]-3,3-dimethylbutan-2-imine
CID 174005888

Frequently Asked Questions

What is the IUPAC name of 2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole?
The IUPAC name of 2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole (CID 91113963) is 2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole.
What is the SMILES notation for 2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole?
The canonical SMILES for 2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole is C=C1C(C)=NC(C)C1(C)C.
What is the InChIKey of 2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole?
The InChIKey is JZNKDSKNVLRGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-6-7(2)10-8(3)9(6,4)5/h8H,1H2,2-5H3.
What are the key properties of 2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole?
2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole is sourced from PubChem (CID 91113963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).