CID 59039618

C9H19N2O2 — CID 59039618

IUPAC—
SMILESCNC(=O)C(C)(C)N([O])C(C)(C)C
InChIInChI=1S/C9H19N2O2/c1-8(2,3)11(13)9(4,5)7(12)10-6/h1-6H3,(H,10,12)
InChIKeyCRAVVWQJAXFFBE-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.96
Rot. Bonds2

About CID 59039618

CID 59039618 (PubChem CID 59039618) has the molecular formula C9H19N2O2 and a molecular weight of 187.26 g/mol.

Molecular Properties

Compound NameCID 59039618
PubChem CID59039618
Molecular FormulaC9H19N2O2
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name—
SMILESCNC(=O)C(C)(C)N([O])C(C)(C)C
InChIInChI=1S/C9H19N2O2/c1-8(2,3)11(13)9(4,5)7(12)10-6/h1-6H3,(H,10,12)
InChIKeyCRAVVWQJAXFFBE-UHFFFAOYSA-N
XLogP0.96
TPSA52.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59039618?
The IUPAC name of CID 59039618 (CID 59039618) is not available.
What is the SMILES notation for CID 59039618?
The canonical SMILES for CID 59039618 is CNC(=O)C(C)(C)N([O])C(C)(C)C.
What is the InChIKey of CID 59039618?
The InChIKey is CRAVVWQJAXFFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O2/c1-8(2,3)11(13)9(4,5)7(12)10-6/h1-6H3,(H,10,12).
What are the key properties of CID 59039618?
CID 59039618 has a molecular weight of 187.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59039618 is sourced from PubChem (CID 59039618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).