CID 163462790

C7H11IN- — CID 163462790

IUPAC—
SMILESN#CCCCCC1C[I-]1
InChIInChI=1S/C7H11IN/c9-5-3-1-2-4-7-6-8-7/h7H,1-4,6H2/q-1
InChIKeyXPDSVOHIDOTKJR-UHFFFAOYSA-N
MW236.08 g/mol
LogP-1.46
Rot. Bonds4

About CID 163462790

CID 163462790 (PubChem CID 163462790) has the molecular formula C7H11IN- and a molecular weight of 236.08 g/mol.

Molecular Properties

Compound NameCID 163462790
PubChem CID163462790
Molecular FormulaC7H11IN-
Molecular Weight236.08 g/mol
Exact Mass235.99
IUPAC Name—
SMILESN#CCCCCC1C[I-]1
InChIInChI=1S/C7H11IN/c9-5-3-1-2-4-7-6-8-7/h7H,1-4,6H2/q-1
InChIKeyXPDSVOHIDOTKJR-UHFFFAOYSA-N
XLogP-1.46
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.08
LogP ≤ 5-1.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

henicosanedinitrile
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5-pyrrolidin-2-ylpentanenitrile
CID 174696623
5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile
CID 18611515
4-(7-bicyclo[2.2.1]heptanyl)butanenitrile
CID 21392670
11-cyclohex-3-en-1-ylundecanenitrile
CID 11436571
5-silylpentanenitrile
CID 173242016
undecanenitrile
CID 16722
4-bromobutanenitrile;5-bromopentanenitrile
CID 88806001
octadecanenitrile
CID 12532
3-cyclopropylpropanenitrile
CID 12768628

Frequently Asked Questions

What is the IUPAC name of CID 163462790?
The IUPAC name of CID 163462790 (CID 163462790) is not available.
What is the SMILES notation for CID 163462790?
The canonical SMILES for CID 163462790 is N#CCCCCC1C[I-]1.
What is the InChIKey of CID 163462790?
The InChIKey is XPDSVOHIDOTKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN/c9-5-3-1-2-4-7-6-8-7/h7H,1-4,6H2/q-1.
What are the key properties of CID 163462790?
CID 163462790 has a molecular weight of 236.08 g/mol, XLogP of -1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163462790 is sourced from PubChem (CID 163462790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).