CID 59368102

C9H14N2O2 — CID 59368102

IUPAC—
SMILES[CH]NC(=O)N(C)C1CC2CCC1O2
InChIInChI=1S/C9H14N2O2/c1-10-9(12)11(2)7-5-6-3-4-8(7)13-6/h1,6-8H,3-5H2,2H3,(H,10,12)
InChIKeyRAXOBPZLVRLLNZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.62
Rot. Bonds1

About CID 59368102

CID 59368102 (PubChem CID 59368102) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol.

Molecular Properties

Compound NameCID 59368102
PubChem CID59368102
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name—
SMILES[CH]NC(=O)N(C)C1CC2CCC1O2
InChIInChI=1S/C9H14N2O2/c1-10-9(12)11(2)7-5-6-3-4-8(7)13-6/h1,6-8H,3-5H2,2H3,(H,10,12)
InChIKeyRAXOBPZLVRLLNZ-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-Ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
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1-(7-Oxabicyclo[2.2.1]heptan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115694648
1,3-Dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 59563981
7-Oxabicyclo[2.2.1]heptan-2-ylurea
CID 69640870
N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 80601619
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
1-[1-(Oxolan-2-yl)ethyl]-3-propan-2-ylurea
CID 115582549
N-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 118136855
1-(Iodomethyl)-3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 130256868
1,3-Dimethyl-1-[1-(5-methyloxolan-2-yl)ethyl]urea
CID 130256884
N-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide
CID 130257313
1-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-propan-2-ylurea
CID 178908966

Frequently Asked Questions

What is the IUPAC name of CID 59368102?
The IUPAC name of CID 59368102 (CID 59368102) is not available.
What is the SMILES notation for CID 59368102?
The canonical SMILES for CID 59368102 is [CH]NC(=O)N(C)C1CC2CCC1O2.
What is the InChIKey of CID 59368102?
The InChIKey is RAXOBPZLVRLLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-10-9(12)11(2)7-5-6-3-4-8(7)13-6/h1,6-8H,3-5H2,2H3,(H,10,12).
What are the key properties of CID 59368102?
CID 59368102 has a molecular weight of 182.22 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59368102 is sourced from PubChem (CID 59368102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).