CID 174135070

C11H17BN2O3 — CID 174135070

IUPAC—
SMILES[B]C(=O)CNCN1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C11H17BN2O3/c1-11(2,3)7-4-9(16)14(10(7)17)6-13-5-8(12)15/h7,13H,4-6H2,1-3H3
InChIKeyDRUPLFSRHZOAEE-UHFFFAOYSA-N
MW236.08 g/mol
LogP-0.35
Rot. Bonds4

About CID 174135070

CID 174135070 (PubChem CID 174135070) has the molecular formula C11H17BN2O3 and a molecular weight of 236.08 g/mol.

Molecular Properties

Compound NameCID 174135070
PubChem CID174135070
Molecular FormulaC11H17BN2O3
Molecular Weight236.08 g/mol
Exact Mass236.13
IUPAC Name—
SMILES[B]C(=O)CNCN1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C11H17BN2O3/c1-11(2,3)7-4-9(16)14(10(7)17)6-13-5-8(12)15/h7,13H,4-6H2,1-3H3
InChIKeyDRUPLFSRHZOAEE-UHFFFAOYSA-N
XLogP-0.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.08
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-1-[[(2,4,4-trimethyl-3-oxopentan-2-yl)amino]methyl]pyrrolidine-2,5-dione
CID 139516155
3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione
CID 177273757
4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 170672640
3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione
CID 58051575
2-[4-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 154623597
1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane
CID 164585932
6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide
CID 162456959
3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide
CID 145127897
3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione
CID 147841672
1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 129062101
3-tert-butyl-1-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]pyrrolidine-2,5-dione
CID 134403475
3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide
CID 58242326

Frequently Asked Questions

What is the IUPAC name of CID 174135070?
The IUPAC name of CID 174135070 (CID 174135070) is not available.
What is the SMILES notation for CID 174135070?
The canonical SMILES for CID 174135070 is [B]C(=O)CNCN1C(=O)CC(C(C)(C)C)C1=O.
What is the InChIKey of CID 174135070?
The InChIKey is DRUPLFSRHZOAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BN2O3/c1-11(2,3)7-4-9(16)14(10(7)17)6-13-5-8(12)15/h7,13H,4-6H2,1-3H3.
What are the key properties of CID 174135070?
CID 174135070 has a molecular weight of 236.08 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174135070 is sourced from PubChem (CID 174135070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).