CID 59039632

C11H20NO2 — CID 59039632

IUPAC—
SMILESC=CC1(O)CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C11H20NO2/c1-6-11(13)7-9(2,3)12(14)10(4,5)8-11/h6,13H,1,7-8H2,2-5H3
InChIKeyURBNVVRUUWUXLC-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.90
Rot. Bonds1

About CID 59039632

CID 59039632 (PubChem CID 59039632) has the molecular formula C11H20NO2 and a molecular weight of 198.29 g/mol.

Molecular Properties

Compound NameCID 59039632
PubChem CID59039632
Molecular FormulaC11H20NO2
Molecular Weight198.29 g/mol
Exact Mass198.15
IUPAC Name—
SMILESC=CC1(O)CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C11H20NO2/c1-6-11(13)7-9(2,3)12(14)10(4,5)8-11/h6,13H,1,7-8H2,2-5H3
InChIKeyURBNVVRUUWUXLC-UHFFFAOYSA-N
XLogP1.90
TPSA43.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59039632?
The IUPAC name of CID 59039632 (CID 59039632) is not available.
What is the SMILES notation for CID 59039632?
The canonical SMILES for CID 59039632 is C=CC1(O)CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 59039632?
The InChIKey is URBNVVRUUWUXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NO2/c1-6-11(13)7-9(2,3)12(14)10(4,5)8-11/h6,13H,1,7-8H2,2-5H3.
What are the key properties of CID 59039632?
CID 59039632 has a molecular weight of 198.29 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59039632 is sourced from PubChem (CID 59039632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).