CID 14687861

C16H13N — CID 14687861

IUPAC—
SMILESC(=C=NCc1ccccc1)=Cc1ccccc1
InChIInChI=1S/C16H13N/c1-3-8-15(9-4-1)12-7-13-17-14-16-10-5-2-6-11-16/h1-6,8-12H,14H2
InChIKeyMOASBEWQHUMSNA-UHFFFAOYSA-N
MW219.29 g/mol
LogP3.72
Rot. Bonds3

About CID 14687861

CID 14687861 (PubChem CID 14687861) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol.

Molecular Properties

Compound NameCID 14687861
PubChem CID14687861
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name—
SMILESC(=C=NCc1ccccc1)=Cc1ccccc1
InChIInChI=1S/C16H13N/c1-3-8-15(9-4-1)12-7-13-17-14-16-10-5-2-6-11-16/h1-6,8-12H,14H2
InChIKeyMOASBEWQHUMSNA-UHFFFAOYSA-N
XLogP3.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-methylpenta-1,2,3-trienylbenzene
CID 11805007
(E)-N-benzyl-4-phenylbut-3-en-1-imine
CID 101087207
2-benzyliminoacetonitrile
CID 10975606
benzyliminotungsten
CID 21354480
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CID 13459841
N-(benzyliminomethylidene)acetamide
CID 159247893
benzylimino(diphenyl)-lambda4-sulfane
CID 12862785
N-benzyl-N'-(4-bromophenyl)methanediimine
CID 88599059
2-benzyl-4,6-bis(benzylimino)-1,3,5-triazinan-2-amine
CID 154502942

Frequently Asked Questions

What is the IUPAC name of CID 14687861?
The IUPAC name of CID 14687861 (CID 14687861) is not available.
What is the SMILES notation for CID 14687861?
The canonical SMILES for CID 14687861 is C(=C=NCc1ccccc1)=Cc1ccccc1.
What is the InChIKey of CID 14687861?
The InChIKey is MOASBEWQHUMSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-3-8-15(9-4-1)12-7-13-17-14-16-10-5-2-6-11-16/h1-6,8-12H,14H2.
What are the key properties of CID 14687861?
CID 14687861 has a molecular weight of 219.29 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14687861 is sourced from PubChem (CID 14687861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).