CID 101232574

C13H23N2O2 — CID 101232574

IUPAC—
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])N([O])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C(NC(=O)C(=C)C)C1([2H])[2H]
InChIInChI=1S/C13H23N2O2/c1-9(2)11(16)14-10-7-12(3,4)15(17)13(5,6)8-10/h10H,1,7-8H2,2-6H3,(H,14,16)/i3D3,4D3,5D3,6D3,7D2,8D2
InChIKeyLIYMIRLQAHTDGM-RMNDAXRESA-N
MW255.44 g/mol
LogP2.05
Rot. Bonds6

About CID 101232574

CID 101232574 (PubChem CID 101232574) has the molecular formula C13H23N2O2 and a molecular weight of 255.44 g/mol.

Molecular Properties

Compound NameCID 101232574
PubChem CID101232574
Molecular FormulaC13H23N2O2
Molecular Weight255.44 g/mol
Exact Mass255.28
IUPAC Name—
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])N([O])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C(NC(=O)C(=C)C)C1([2H])[2H]
InChIInChI=1S/C13H23N2O2/c1-9(2)11(16)14-10-7-12(3,4)15(17)13(5,6)8-10/h10H,1,7-8H2,2-6H3,(H,14,16)/i3D3,4D3,5D3,6D3,7D2,8D2
InChIKeyLIYMIRLQAHTDGM-RMNDAXRESA-N
XLogP2.05
TPSA52.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.44
LogP ≤ 52.05
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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Related Compounds

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N-(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl)prop-2-enamide
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CID 102134405
CID 102134405
N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)acetamide
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N-(2,2,6,6-Tetramethylpiperidin-4-yl)acrylamide monohydrate
CID 139062122
N-cyclohexyl-2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxy]methylacrylamide
CID 168431882
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enamide
CID 914735
N-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)acetamide
CID 2775873
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide
CID 12991967
[4-(Acryloylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanyl
CID 16410431

Frequently Asked Questions

What is the IUPAC name of CID 101232574?
The IUPAC name of CID 101232574 (CID 101232574) is not available.
What is the SMILES notation for CID 101232574?
The canonical SMILES for CID 101232574 is [2H]C([2H])([2H])C1(C([2H])([2H])[2H])N([O])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C(NC(=O)C(=C)C)C1([2H])[2H].
What is the InChIKey of CID 101232574?
The InChIKey is LIYMIRLQAHTDGM-RMNDAXRESA-N. The full InChI is InChI=1S/C13H23N2O2/c1-9(2)11(16)14-10-7-12(3,4)15(17)13(5,6)8-10/h10H,1,7-8H2,2-6H3,(H,14,16)/i3D3,4D3,5D3,6D3,7D2,8D2.
What are the key properties of CID 101232574?
CID 101232574 has a molecular weight of 255.44 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101232574 is sourced from PubChem (CID 101232574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).