CID 153419556

C13H24NO3 — CID 153419556

IUPAC—
SMILESCCCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C13H24NO3/c1-6-7-11(15)17-10-8-12(2,3)14(16)13(4,5)9-10/h10H,6-9H2,1-5H3
InChIKeyITRGHQBQSMGPGI-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.70
Rot. Bonds3

About CID 153419556

CID 153419556 (PubChem CID 153419556) has the molecular formula C13H24NO3 and a molecular weight of 242.34 g/mol.

Molecular Properties

Compound NameCID 153419556
PubChem CID153419556
Molecular FormulaC13H24NO3
Molecular Weight242.34 g/mol
Exact Mass242.18
IUPAC Name—
SMILESCCCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C13H24NO3/c1-6-7-11(15)17-10-8-12(2,3)14(16)13(4,5)9-10/h10H,6-9H2,1-5H3
InChIKeyITRGHQBQSMGPGI-UHFFFAOYSA-N
XLogP2.70
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 153419556?
The IUPAC name of CID 153419556 (CID 153419556) is not available.
What is the SMILES notation for CID 153419556?
The canonical SMILES for CID 153419556 is CCCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 153419556?
The InChIKey is ITRGHQBQSMGPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24NO3/c1-6-7-11(15)17-10-8-12(2,3)14(16)13(4,5)9-10/h10H,6-9H2,1-5H3.
What are the key properties of CID 153419556?
CID 153419556 has a molecular weight of 242.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153419556 is sourced from PubChem (CID 153419556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).