oxan-2-ylcyanamide

C6H10N2O — CID 105427278

IUPACoxan-2-ylcyanamide
SMILESN#CNC1CCCCO1
InChIInChI=1S/C6H10N2O/c7-5-8-6-3-1-2-4-9-6/h6,8H,1-4H2
InChIKeyRNXVPZADPFZRLK-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.58
Rot. Bonds1

About oxan-2-ylcyanamide

oxan-2-ylcyanamide (PubChem CID 105427278) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is oxan-2-ylcyanamide.

Molecular Properties

Compound Nameoxan-2-ylcyanamide
PubChem CID105427278
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Nameoxan-2-ylcyanamide
SMILESN#CNC1CCCCO1
InChIInChI=1S/C6H10N2O/c7-5-8-6-3-1-2-4-9-6/h6,8H,1-4H2
InChIKeyRNXVPZADPFZRLK-UHFFFAOYSA-N
XLogP0.58
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxacyclohexadecane-2-carbonitrile
CID 10777153
oxan-2-ylthiourea
CID 54435172
oxan-2-yl(sulfanylidene)silane
CID 173279385
[(2S)-oxolan-2-yl]methylcyanamide
CID 87337063
N-(oxan-2-yl)ethenesulfonamide
CID 86241569
2-methyl-2-[(2R)-oxan-2-yl]propanenitrile
CID 124670962
N-anthracen-9-yloxan-2-amine
CID 175382056
(2R)-2-(oxan-2-ylamino)propanoic acid
CID 68789041
N-[(2R)-oxan-2-yl]-2-(phosphanylamino)acetamide
CID 58384212
N-(methylideneamino)oxolan-2-amine
CID 163795352
[(1S)-1-[(2S)-oxan-2-yl]ethyl] thiocyanate
CID 139548368
N-(oxan-2-yl)benzamide
CID 3717262

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylcyanamide?
The IUPAC name of oxan-2-ylcyanamide (CID 105427278) is oxan-2-ylcyanamide.
What is the SMILES notation for oxan-2-ylcyanamide?
The canonical SMILES for oxan-2-ylcyanamide is N#CNC1CCCCO1.
What is the InChIKey of oxan-2-ylcyanamide?
The InChIKey is RNXVPZADPFZRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-5-8-6-3-1-2-4-9-6/h6,8H,1-4H2.
What are the key properties of oxan-2-ylcyanamide?
oxan-2-ylcyanamide has a molecular weight of 126.16 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylcyanamide is sourced from PubChem (CID 105427278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).