CID 134893390

C14H24NO2 — CID 134893390

IUPAC—
SMILES[CH2]C/C=C/C(=O)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C14H24NO2/c1-6-7-9-12(16)17-15-13(2,3)10-8-11-14(15,4)5/h7,9H,1,6,8,10-11H2,2-5H3/b9-7+
InChIKeyXDLYTNPACWDUCK-VQHVLOKHSA-N
MW238.35 g/mol
LogP3.27
Rot. Bonds3

About CID 134893390

CID 134893390 (PubChem CID 134893390) has the molecular formula C14H24NO2 and a molecular weight of 238.35 g/mol.

Molecular Properties

Compound NameCID 134893390
PubChem CID134893390
Molecular FormulaC14H24NO2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name—
SMILES[CH2]C/C=C/C(=O)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C14H24NO2/c1-6-7-9-12(16)17-15-13(2,3)10-8-11-14(15,4)5/h7,9H,1,6,8,10-11H2,2-5H3/b9-7+
InChIKeyXDLYTNPACWDUCK-VQHVLOKHSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134893390?
The IUPAC name of CID 134893390 (CID 134893390) is not available.
What is the SMILES notation for CID 134893390?
The canonical SMILES for CID 134893390 is [CH2]C/C=C/C(=O)ON1C(C)(C)CCCC1(C)C.
What is the InChIKey of CID 134893390?
The InChIKey is XDLYTNPACWDUCK-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H24NO2/c1-6-7-9-12(16)17-15-13(2,3)10-8-11-14(15,4)5/h7,9H,1,6,8,10-11H2,2-5H3/b9-7+.
What are the key properties of CID 134893390?
CID 134893390 has a molecular weight of 238.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134893390 is sourced from PubChem (CID 134893390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).