CID 176992931

C10H18NZn- — CID 176992931

IUPAC—
SMILESCN1CCC2(CC[CH-]CC2)C1.[Zn]
InChIInChI=1S/C10H18N.Zn/c1-11-8-7-10(9-11)5-3-2-4-6-10;/h2H,3-9H2,1H3;/q-1;
InChIKeyIKLQWZFHGIKXCB-UHFFFAOYSA-N
MW217.65 g/mol
LogP2.08
Rot. Bonds

About CID 176992931

CID 176992931 (PubChem CID 176992931) has the molecular formula C10H18NZn- and a molecular weight of 217.65 g/mol.

Molecular Properties

Compound NameCID 176992931
PubChem CID176992931
Molecular FormulaC10H18NZn-
Molecular Weight217.65 g/mol
Exact Mass216.07
IUPAC Name—
SMILESCN1CCC2(CC[CH-]CC2)C1.[Zn]
InChIInChI=1S/C10H18N.Zn/c1-11-8-7-10(9-11)5-3-2-4-6-10;/h2H,3-9H2,1H3;/q-1;
InChIKeyIKLQWZFHGIKXCB-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 176992931?
The IUPAC name of CID 176992931 (CID 176992931) is not available.
What is the SMILES notation for CID 176992931?
The canonical SMILES for CID 176992931 is CN1CCC2(CC[CH-]CC2)C1.[Zn].
What is the InChIKey of CID 176992931?
The InChIKey is IKLQWZFHGIKXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N.Zn/c1-11-8-7-10(9-11)5-3-2-4-6-10;/h2H,3-9H2,1H3;/q-1;.
What are the key properties of CID 176992931?
CID 176992931 has a molecular weight of 217.65 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176992931 is sourced from PubChem (CID 176992931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).