CID 122210238

C6H11N2O — CID 122210238

IUPAC—
SMILESCN1[CH]N(CCO)C=C1
InChIInChI=1S/C6H11N2O/c1-7-2-3-8(6-7)4-5-9/h2-3,6,9H,4-5H2,1H3
InChIKeyXXLXTWBXQKNVCJ-UHFFFAOYSA-N
MW127.17 g/mol
LogP-0.18
Rot. Bonds2

About CID 122210238

CID 122210238 (PubChem CID 122210238) has the molecular formula C6H11N2O and a molecular weight of 127.17 g/mol.

Molecular Properties

Compound NameCID 122210238
PubChem CID122210238
Molecular FormulaC6H11N2O
Molecular Weight127.17 g/mol
Exact Mass127.09
IUPAC Name—
SMILESCN1[CH]N(CCO)C=C1
InChIInChI=1S/C6H11N2O/c1-7-2-3-8(6-7)4-5-9/h2-3,6,9H,4-5H2,1H3
InChIKeyXXLXTWBXQKNVCJ-UHFFFAOYSA-N
XLogP-0.18
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 122210238?
The IUPAC name of CID 122210238 (CID 122210238) is not available.
What is the SMILES notation for CID 122210238?
The canonical SMILES for CID 122210238 is CN1[CH]N(CCO)C=C1.
What is the InChIKey of CID 122210238?
The InChIKey is XXLXTWBXQKNVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2O/c1-7-2-3-8(6-7)4-5-9/h2-3,6,9H,4-5H2,1H3.
What are the key properties of CID 122210238?
CID 122210238 has a molecular weight of 127.17 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122210238 is sourced from PubChem (CID 122210238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).