CID 59037765

C14H19NO — CID 59037765

IUPAC—
SMILES[CH]C(C)COc1ccc(/N=C(\C)CC)cc1
InChIInChI=1S/C14H19NO/c1-5-12(4)15-13-6-8-14(9-7-13)16-10-11(2)3/h2,6-9,11H,5,10H2,1,3-4H3/b15-12+
InChIKeyXMFHETCCMAZXLL-NTCAYCPXSA-N
MW217.31 g/mol
LogP3.91
Rot. Bonds5

About CID 59037765

CID 59037765 (PubChem CID 59037765) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol.

Molecular Properties

Compound NameCID 59037765
PubChem CID59037765
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name—
SMILES[CH]C(C)COc1ccc(/N=C(\C)CC)cc1
InChIInChI=1S/C14H19NO/c1-5-12(4)15-13-6-8-14(9-7-13)16-10-11(2)3/h2,6-9,11H,5,10H2,1,3-4H3/b15-12+
InChIKeyXMFHETCCMAZXLL-NTCAYCPXSA-N
XLogP3.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59037765?
The IUPAC name of CID 59037765 (CID 59037765) is not available.
What is the SMILES notation for CID 59037765?
The canonical SMILES for CID 59037765 is [CH]C(C)COc1ccc(/N=C(\C)CC)cc1.
What is the InChIKey of CID 59037765?
The InChIKey is XMFHETCCMAZXLL-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-12(4)15-13-6-8-14(9-7-13)16-10-11(2)3/h2,6-9,11H,5,10H2,1,3-4H3/b15-12+.
What are the key properties of CID 59037765?
CID 59037765 has a molecular weight of 217.31 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59037765 is sourced from PubChem (CID 59037765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).