CID 11441759

C14H16NO4 — CID 11441759

IUPAC—
SMILESCO/C(C)=C1/C(=O)N(C)CC12[CH][CH][C]1OCO[C]1[CH]2
InChIInChI=1S/C14H16NO4/c1-9(17-3)12-13(16)15(2)7-14(12)5-4-10-11(6-14)19-8-18-10/h4-6H,7-8H2,1-3H3/b12-9-
InChIKeyPEFXEWWRXZFWCL-XFXZXTDPSA-N
MW262.28 g/mol
LogP1.06
Rot. Bonds1

About CID 11441759

CID 11441759 (PubChem CID 11441759) has the molecular formula C14H16NO4 and a molecular weight of 262.28 g/mol.

Molecular Properties

Compound NameCID 11441759
PubChem CID11441759
Molecular FormulaC14H16NO4
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name—
SMILESCO/C(C)=C1/C(=O)N(C)CC12[CH][CH][C]1OCO[C]1[CH]2
InChIInChI=1S/C14H16NO4/c1-9(17-3)12-13(16)15(2)7-14(12)5-4-10-11(6-14)19-8-18-10/h4-6H,7-8H2,1-3H3/b12-9-
InChIKeyPEFXEWWRXZFWCL-XFXZXTDPSA-N
XLogP1.06
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11441759?
The IUPAC name of CID 11441759 (CID 11441759) is not available.
What is the SMILES notation for CID 11441759?
The canonical SMILES for CID 11441759 is CO/C(C)=C1/C(=O)N(C)CC12[CH][CH][C]1OCO[C]1[CH]2.
What is the InChIKey of CID 11441759?
The InChIKey is PEFXEWWRXZFWCL-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H16NO4/c1-9(17-3)12-13(16)15(2)7-14(12)5-4-10-11(6-14)19-8-18-10/h4-6H,7-8H2,1-3H3/b12-9-.
What are the key properties of CID 11441759?
CID 11441759 has a molecular weight of 262.28 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11441759 is sourced from PubChem (CID 11441759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).