CID 11270736

C15H20NO4 — CID 11270736

IUPAC—
SMILESCO[C]1[CH][CH]C2([CH][C]1OC)CN(C)C(=O)/C2=C(\C)OC
InChIInChI=1S/C15H20NO4/c1-10(18-3)13-14(17)16(2)9-15(13)7-6-11(19-4)12(8-15)20-5/h6-8H,9H2,1-5H3/b13-10-
InChIKeyLPYVTVSEJRKUBA-RAXLEYEMSA-N
MW278.33 g/mol
LogP1.35
Rot. Bonds3

About CID 11270736

CID 11270736 (PubChem CID 11270736) has the molecular formula C15H20NO4 and a molecular weight of 278.33 g/mol.

Molecular Properties

Compound NameCID 11270736
PubChem CID11270736
Molecular FormulaC15H20NO4
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name—
SMILESCO[C]1[CH][CH]C2([CH][C]1OC)CN(C)C(=O)/C2=C(\C)OC
InChIInChI=1S/C15H20NO4/c1-10(18-3)13-14(17)16(2)9-15(13)7-6-11(19-4)12(8-15)20-5/h6-8H,9H2,1-5H3/b13-10-
InChIKeyLPYVTVSEJRKUBA-RAXLEYEMSA-N
XLogP1.35
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.35
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 11270736?
The IUPAC name of CID 11270736 (CID 11270736) is not available.
What is the SMILES notation for CID 11270736?
The canonical SMILES for CID 11270736 is CO[C]1[CH][CH]C2([CH][C]1OC)CN(C)C(=O)/C2=C(\C)OC.
What is the InChIKey of CID 11270736?
The InChIKey is LPYVTVSEJRKUBA-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H20NO4/c1-10(18-3)13-14(17)16(2)9-15(13)7-6-11(19-4)12(8-15)20-5/h6-8H,9H2,1-5H3/b13-10-.
What are the key properties of CID 11270736?
CID 11270736 has a molecular weight of 278.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11270736 is sourced from PubChem (CID 11270736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).