CID 11180127

C14H14N2 — CID 11180127

IUPAC—
SMILESC/C(=N\N=C(/C)[C]1[CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C14H14N2/c1-11(13-7-3-4-8-13)15-16-12(2)14-9-5-6-10-14/h3-10H,1-2H3/b15-11+,16-12+
InChIKeyDEJWOBKYJUQYMW-JOBJLJCHSA-N
MW210.28 g/mol
LogP2.63
Rot. Bonds3

About CID 11180127

CID 11180127 (PubChem CID 11180127) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol.

Molecular Properties

Compound NameCID 11180127
PubChem CID11180127
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name—
SMILESC/C(=N\N=C(/C)[C]1[CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C14H14N2/c1-11(13-7-3-4-8-13)15-16-12(2)14-9-5-6-10-14/h3-10H,1-2H3/b15-11+,16-12+
InChIKeyDEJWOBKYJUQYMW-JOBJLJCHSA-N
XLogP2.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11180127?
The IUPAC name of CID 11180127 (CID 11180127) is not available.
What is the SMILES notation for CID 11180127?
The canonical SMILES for CID 11180127 is C/C(=N\N=C(/C)[C]1[CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 11180127?
The InChIKey is DEJWOBKYJUQYMW-JOBJLJCHSA-N. The full InChI is InChI=1S/C14H14N2/c1-11(13-7-3-4-8-13)15-16-12(2)14-9-5-6-10-14/h3-10H,1-2H3/b15-11+,16-12+.
What are the key properties of CID 11180127?
CID 11180127 has a molecular weight of 210.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11180127 is sourced from PubChem (CID 11180127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).