carbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole

C9H16MtN- — CID 59085074

IUPACcarbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole
SMILESCC1=NC(C)=C(C)C1C.[CH3-].[Mt]
InChIInChI=1S/C8H13N.CH3.Mt/c1-5-6(2)8(4)9-7(5)3;;/h5H,1-4H3;1H3;/q;-1;
InChIKeyVBDLHNCOLVWEAJ-UHFFFAOYSA-N
MW416.23 g/mol
LogP2.84
Rot. Bonds

About carbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole

carbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole (PubChem CID 59085074) has the molecular formula C9H16MtN- and a molecular weight of 416.23 g/mol. Its IUPAC name is carbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole.

Molecular Properties

Compound Namecarbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole
PubChem CID59085074
Molecular FormulaC9H16MtN-
Molecular Weight416.23 g/mol
Exact Mass416.28
IUPAC Namecarbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole
SMILESCC1=NC(C)=C(C)C1C.[CH3-].[Mt]
InChIInChI=1S/C8H13N.CH3.Mt/c1-5-6(2)8(4)9-7(5)3;;/h5H,1-4H3;1H3;/q;-1;
InChIKeyVBDLHNCOLVWEAJ-UHFFFAOYSA-N
XLogP2.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-cyclopropyl-1-fluorobut-2-en-2-yl]-3-methylbutan-2-imine
CID 144082967
2,3,3,4,5-Pentamethylpyrrole
CID 301930
2H-Pyrrole, 3,4-dihydro-4,4,5-trimethyl-2-(1-methylethylidene)-
CID 5325603
2,4,5-trimethyl-3H-pyrrole
CID 9793719
1,2,3,4,5-pentamethyl-3H-pyrrol-1-ium
CID 20667180
4-ethyl-2,5-dimethyl-3H-pyrrole
CID 20765952
1,2,3,3,4,5-Hexamethylpyrrol-1-ium
CID 21043311
2-tert-butyl-4,5-dimethyl-3H-pyrrole
CID 21050596
4-ethyl-2,3,5-trimethyl-3H-pyrrole
CID 21054911
3-Ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole
CID 23518376
2,3,4,5-tetramethyl-3H-pyrrole
CID 53757448
2-methyl-4,5-di(propan-2-yl)-3H-pyrrole
CID 58201783

Frequently Asked Questions

What is the IUPAC name of carbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole?
The IUPAC name of carbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole (CID 59085074) is carbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole.
What is the SMILES notation for carbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole?
The canonical SMILES for carbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole is CC1=NC(C)=C(C)C1C.[CH3-].[Mt].
What is the InChIKey of carbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole?
The InChIKey is VBDLHNCOLVWEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.CH3.Mt/c1-5-6(2)8(4)9-7(5)3;;/h5H,1-4H3;1H3;/q;-1;.
What are the key properties of carbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole?
carbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole has a molecular weight of 416.23 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole is sourced from PubChem (CID 59085074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).