potassium;1,6-dimethyl-3H-cyclohepta[b]pyrrol-6-id-2-one;ethane

C13H18KNO — CID 153340929

IUPACpotassium;1,6-dimethyl-3H-cyclohepta[b]pyrrol-6-id-2-one;ethane
SMILESCC.C[C-]1C=CC2=C(C=C1)N(C)C(=O)C2.[K+]
InChIInChI=1S/C11H12NO.C2H6.K/c1-8-3-5-9-7-11(13)12(2)10(9)6-4-8;1-2;/h3-6H,7H2,1-2H3;1-2H3;/q-1;;+1
InChIKeyNPQUCERTDDIZJD-UHFFFAOYSA-N
MW243.39 g/mol
LogP-0.15
Rot. Bonds

About potassium;1,6-dimethyl-3H-cyclohepta[b]pyrrol-6-id-2-one;ethane

potassium;1,6-dimethyl-3H-cyclohepta[b]pyrrol-6-id-2-one;ethane (PubChem CID 153340929) has the molecular formula C13H18KNO and a molecular weight of 243.39 g/mol. Its IUPAC name is potassium;1,6-dimethyl-3H-cyclohepta[b]pyrrol-6-id-2-one;ethane.

Molecular Properties

Compound Namepotassium;1,6-dimethyl-3H-cyclohepta[b]pyrrol-6-id-2-one;ethane
PubChem CID153340929
Molecular FormulaC13H18KNO
Molecular Weight243.39 g/mol
Exact Mass243.10
IUPAC Namepotassium;1,6-dimethyl-3H-cyclohepta[b]pyrrol-6-id-2-one;ethane
SMILESCC.C[C-]1C=CC2=C(C=C1)N(C)C(=O)C2.[K+]
InChIInChI=1S/C11H12NO.C2H6.K/c1-8-3-5-9-7-11(13)12(2)10(9)6-4-8;1-2;/h3-6H,7H2,1-2H3;1-2H3;/q-1;;+1
InChIKeyNPQUCERTDDIZJD-UHFFFAOYSA-N
XLogP-0.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 5-0.15
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

4,5-Bis(ethenyl)-3,3-difluoro-1-methylpyrrol-2-one
CID 145617019
1-[5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydropyrrol-1-yl]-2-methylpropan-1-one
CID 89468908
5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
CID 129043575
Ethane;3-ethenyl-1-methyl-5-methylidene-4-propylpyrrol-2-one
CID 141796834
1,7,7,9-Tetramethyl-3,4-dihydrocyclohepta[b]pyridin-2-one
CID 141991455
4-Azatricyclo[6.4.1.04,13]trideca-1(13),8,11-trien-3-one;ethane
CID 141991459
5,6-Bis(ethenyl)-1-methyl-3,4-dihydropyridin-2-one;ethane
CID 142020458
6-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3,7-trimethyl-5-[(Z)-prop-1-enyl]-3H-azepin-2-one;ethane
CID 142050554
(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrolidin-2-one
CID 142090302
(3E)-2-propyl-3-propylidene-8H-cyclohepta[c]pyrrol-1-one
CID 142110493
ethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
CID 142450288
4,5-bis(ethenyl)-1-ethyl-3H-pyrrol-2-one
CID 142586482

Frequently Asked Questions

What is the IUPAC name of potassium;1,6-dimethyl-3H-cyclohepta[b]pyrrol-6-id-2-one;ethane?
The IUPAC name of potassium;1,6-dimethyl-3H-cyclohepta[b]pyrrol-6-id-2-one;ethane (CID 153340929) is potassium;1,6-dimethyl-3H-cyclohepta[b]pyrrol-6-id-2-one;ethane.
What is the SMILES notation for potassium;1,6-dimethyl-3H-cyclohepta[b]pyrrol-6-id-2-one;ethane?
The canonical SMILES for potassium;1,6-dimethyl-3H-cyclohepta[b]pyrrol-6-id-2-one;ethane is CC.C[C-]1C=CC2=C(C=C1)N(C)C(=O)C2.[K+].
What is the InChIKey of potassium;1,6-dimethyl-3H-cyclohepta[b]pyrrol-6-id-2-one;ethane?
The InChIKey is NPQUCERTDDIZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO.C2H6.K/c1-8-3-5-9-7-11(13)12(2)10(9)6-4-8;1-2;/h3-6H,7H2,1-2H3;1-2H3;/q-1;;+1.
What are the key properties of potassium;1,6-dimethyl-3H-cyclohepta[b]pyrrol-6-id-2-one;ethane?
potassium;1,6-dimethyl-3H-cyclohepta[b]pyrrol-6-id-2-one;ethane has a molecular weight of 243.39 g/mol, XLogP of -0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1,6-dimethyl-3H-cyclohepta[b]pyrrol-6-id-2-one;ethane is sourced from PubChem (CID 153340929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).