CID 153340924

C10H13KN2O — CID 153340924

IUPAC—
SMILESCC.O=C1NCC2=C1N=C[CH-]C=C2.[K+]
InChIInChI=1S/C8H7N2O.C2H6.K/c11-8-7-6(5-10-8)3-1-2-4-9-7;1-2;/h1-4H,5H2,(H,10,11);1-2H3;/q-1;;+1
InChIKeyPSAJEONAYSEWJC-UHFFFAOYSA-N
MW216.33 g/mol
LogP-1.75
Rot. Bonds

About CID 153340924

CID 153340924 (PubChem CID 153340924) has the molecular formula C10H13KN2O and a molecular weight of 216.33 g/mol.

Molecular Properties

Compound NameCID 153340924
PubChem CID153340924
Molecular FormulaC10H13KN2O
Molecular Weight216.33 g/mol
Exact Mass216.07
IUPAC Name—
SMILESCC.O=C1NCC2=C1N=C[CH-]C=C2.[K+]
InChIInChI=1S/C8H7N2O.C2H6.K/c11-8-7-6(5-10-8)3-1-2-4-9-7;1-2;/h1-4H,5H2,(H,10,11);1-2H3;/q-1;;+1
InChIKeyPSAJEONAYSEWJC-UHFFFAOYSA-N
XLogP-1.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-3H-pyrrolo[3,4-b]azepine-6,8-dione
CID 142123825
Ethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one
CID 142389284
Ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one
CID 145394076
CID 153340922
CID 153340922
CID 156794152
CID 156794152
7,8-dihydro-3H-pyrrolo[3,4-b]azepin-6-one;ethane
CID 156794178
4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one;ethane
CID 164865322
3-Methyl-3-(methylamino)-7,8-dihydropyrrolo[3,4-b]azepin-6-one
CID 166848139
4-Ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one
CID 167479306
7-Methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one
CID 142389285
7,8-dihydro-3H-pyrrolo[3,4-b]azepin-6-one
CID 153340923
6,7-dihydro-3H-pyrrolo[3,4-b]azepin-8-one
CID 153340925

Frequently Asked Questions

What is the IUPAC name of CID 153340924?
The IUPAC name of CID 153340924 (CID 153340924) is not available.
What is the SMILES notation for CID 153340924?
The canonical SMILES for CID 153340924 is CC.O=C1NCC2=C1N=C[CH-]C=C2.[K+].
What is the InChIKey of CID 153340924?
The InChIKey is PSAJEONAYSEWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2O.C2H6.K/c11-8-7-6(5-10-8)3-1-2-4-9-7;1-2;/h1-4H,5H2,(H,10,11);1-2H3;/q-1;;+1.
What are the key properties of CID 153340924?
CID 153340924 has a molecular weight of 216.33 g/mol, XLogP of -1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153340924 is sourced from PubChem (CID 153340924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).