CID 153340914

C9H11KN2 — CID 153340914

IUPAC—
SMILESC[C-]1C=CC2=C(N=C1)NCC2.[K+]
InChIInChI=1S/C9H11N2.K/c1-7-2-3-8-4-5-10-9(8)11-6-7;/h2-3,6,10H,4-5H2,1H3;/q-1;+1
InChIKeyQBPIOVRBXPEZTI-UHFFFAOYSA-N
MW186.30 g/mol
LogP-1.57
Rot. Bonds

About CID 153340914

CID 153340914 (PubChem CID 153340914) has the molecular formula C9H11KN2 and a molecular weight of 186.30 g/mol.

Molecular Properties

Compound NameCID 153340914
PubChem CID153340914
Molecular FormulaC9H11KN2
Molecular Weight186.30 g/mol
Exact Mass186.06
IUPAC Name—
SMILESC[C-]1C=CC2=C(N=C1)NCC2.[K+]
InChIInChI=1S/C9H11N2.K/c1-7-2-3-8-4-5-10-9(8)11-6-7;/h2-3,6,10H,4-5H2,1H3;/q-1;+1
InChIKeyQBPIOVRBXPEZTI-UHFFFAOYSA-N
XLogP-1.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 5-1.57
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

N-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine
CID 138747410
7,7-Dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine;ethane
CID 143591504
7,7-Dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine
CID 143591505
4,4-Dimethyl-2,12-diazabicyclo[5.5.0]dodeca-1(7),2,5-triene
CID 143591519
6-methyl-6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]azepine
CID 166848138
6-Methyl-1,2,3,6-tetrahydropyrrolo[2,3-b]azepine
CID 153340915

Frequently Asked Questions

What is the IUPAC name of CID 153340914?
The IUPAC name of CID 153340914 (CID 153340914) is not available.
What is the SMILES notation for CID 153340914?
The canonical SMILES for CID 153340914 is C[C-]1C=CC2=C(N=C1)NCC2.[K+].
What is the InChIKey of CID 153340914?
The InChIKey is QBPIOVRBXPEZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N2.K/c1-7-2-3-8-4-5-10-9(8)11-6-7;/h2-3,6,10H,4-5H2,1H3;/q-1;+1.
What are the key properties of CID 153340914?
CID 153340914 has a molecular weight of 186.30 g/mol, XLogP of -1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153340914 is sourced from PubChem (CID 153340914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).