CID 58165359

C15H22NO2 — CID 58165359

IUPAC—
SMILESC/C=C/C(=O)[CH]C1CCCCC1NC(=O)/C=C/C
InChIInChI=1S/C15H22NO2/c1-3-7-13(17)11-12-9-5-6-10-14(12)16-15(18)8-4-2/h3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3,(H,16,18)/b7-3+,8-4+
InChIKeyVRMKCGZLYALJEU-FCXRPNKRSA-N
MW248.35 g/mol
LogP2.59
Rot. Bonds5

About CID 58165359

CID 58165359 (PubChem CID 58165359) has the molecular formula C15H22NO2 and a molecular weight of 248.35 g/mol.

Molecular Properties

Compound NameCID 58165359
PubChem CID58165359
Molecular FormulaC15H22NO2
Molecular Weight248.35 g/mol
Exact Mass248.17
IUPAC Name—
SMILESC/C=C/C(=O)[CH]C1CCCCC1NC(=O)/C=C/C
InChIInChI=1S/C15H22NO2/c1-3-7-13(17)11-12-9-5-6-10-14(12)16-15(18)8-4-2/h3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3,(H,16,18)/b7-3+,8-4+
InChIKeyVRMKCGZLYALJEU-FCXRPNKRSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 58165359?
The IUPAC name of CID 58165359 (CID 58165359) is not available.
What is the SMILES notation for CID 58165359?
The canonical SMILES for CID 58165359 is C/C=C/C(=O)[CH]C1CCCCC1NC(=O)/C=C/C.
What is the InChIKey of CID 58165359?
The InChIKey is VRMKCGZLYALJEU-FCXRPNKRSA-N. The full InChI is InChI=1S/C15H22NO2/c1-3-7-13(17)11-12-9-5-6-10-14(12)16-15(18)8-4-2/h3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3,(H,16,18)/b7-3+,8-4+.
What are the key properties of CID 58165359?
CID 58165359 has a molecular weight of 248.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58165359 is sourced from PubChem (CID 58165359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).