CID 156717927

C10H18N+ — CID 156717927

IUPAC—
SMILES[CH2]C1C[N+](CC=C)(CC=C)C1.[H]
InChIInChI=1S/C10H17N.H/c1-4-6-11(7-5-2)8-10(3)9-11;/h4-5,10H,1-3,6-9H2;/q+1;
InChIKeyILXXVSKJMGRQFS-UHFFFAOYSA-N
MW152.26 g/mol
LogP1.75
Rot. Bonds4

About CID 156717927

CID 156717927 (PubChem CID 156717927) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol.

Molecular Properties

Compound NameCID 156717927
PubChem CID156717927
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Name—
SMILES[CH2]C1C[N+](CC=C)(CC=C)C1.[H]
InChIInChI=1S/C10H17N.H/c1-4-6-11(7-5-2)8-10(3)9-11;/h4-5,10H,1-3,6-9H2;/q+1;
InChIKeyILXXVSKJMGRQFS-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 156717927?
The IUPAC name of CID 156717927 (CID 156717927) is not available.
What is the SMILES notation for CID 156717927?
The canonical SMILES for CID 156717927 is [CH2]C1C[N+](CC=C)(CC=C)C1.[H].
What is the InChIKey of CID 156717927?
The InChIKey is ILXXVSKJMGRQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.H/c1-4-6-11(7-5-2)8-10(3)9-11;/h4-5,10H,1-3,6-9H2;/q+1;.
What are the key properties of CID 156717927?
CID 156717927 has a molecular weight of 152.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156717927 is sourced from PubChem (CID 156717927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).