CID 101095779

C14H14NO — CID 101095779

IUPAC—
SMILESCO[C]1C=C(C)C(=C2C=C=NC=C2)C(C)=C1
InChIInChI=1S/C14H14NO/c1-10-8-13(16-3)9-11(2)14(10)12-4-6-15-7-5-12/h4-6,8-9H,1-3H3
InChIKeyOZPWLAABTUFPDF-UHFFFAOYSA-N
MW212.27 g/mol
LogP3.12
Rot. Bonds1

About CID 101095779

CID 101095779 (PubChem CID 101095779) has the molecular formula C14H14NO and a molecular weight of 212.27 g/mol.

Molecular Properties

Compound NameCID 101095779
PubChem CID101095779
Molecular FormulaC14H14NO
Molecular Weight212.27 g/mol
Exact Mass212.11
IUPAC Name—
SMILESCO[C]1C=C(C)C(=C2C=C=NC=C2)C(C)=C1
InChIInChI=1S/C14H14NO/c1-10-8-13(16-3)9-11(2)14(10)12-4-6-15-7-5-12/h4-6,8-9H,1-3H3
InChIKeyOZPWLAABTUFPDF-UHFFFAOYSA-N
XLogP3.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 101095779?
The IUPAC name of CID 101095779 (CID 101095779) is not available.
What is the SMILES notation for CID 101095779?
The canonical SMILES for CID 101095779 is CO[C]1C=C(C)C(=C2C=C=NC=C2)C(C)=C1.
What is the InChIKey of CID 101095779?
The InChIKey is OZPWLAABTUFPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NO/c1-10-8-13(16-3)9-11(2)14(10)12-4-6-15-7-5-12/h4-6,8-9H,1-3H3.
What are the key properties of CID 101095779?
CID 101095779 has a molecular weight of 212.27 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101095779 is sourced from PubChem (CID 101095779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).