CID 140670847

C15H23N2O3 — CID 140670847

IUPAC—
SMILESC=CC(=O)N(C(=O)C=C)C1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C15H23N2O3/c1-7-12(18)16(13(19)8-2)11-9-14(3,4)17(20)15(5,6)10-11/h7-8,11H,1-2,9-10H2,3-6H3
InChIKeyXQVWBAQMBIXTIA-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.08
Rot. Bonds3

About CID 140670847

CID 140670847 (PubChem CID 140670847) has the molecular formula C15H23N2O3 and a molecular weight of 279.36 g/mol.

Molecular Properties

Compound NameCID 140670847
PubChem CID140670847
Molecular FormulaC15H23N2O3
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name—
SMILESC=CC(=O)N(C(=O)C=C)C1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C15H23N2O3/c1-7-12(18)16(13(19)8-2)11-9-14(3,4)17(20)15(5,6)10-11/h7-8,11H,1-2,9-10H2,3-6H3
InChIKeyXQVWBAQMBIXTIA-UHFFFAOYSA-N
XLogP2.08
TPSA60.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.08
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 140670847?
The IUPAC name of CID 140670847 (CID 140670847) is not available.
What is the SMILES notation for CID 140670847?
The canonical SMILES for CID 140670847 is C=CC(=O)N(C(=O)C=C)C1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 140670847?
The InChIKey is XQVWBAQMBIXTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N2O3/c1-7-12(18)16(13(19)8-2)11-9-14(3,4)17(20)15(5,6)10-11/h7-8,11H,1-2,9-10H2,3-6H3.
What are the key properties of CID 140670847?
CID 140670847 has a molecular weight of 279.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140670847 is sourced from PubChem (CID 140670847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).