[(2R)-4-methylideneoxan-2-yl]methylcyanamide

C8H12N2O — CID 155718893

IUPAC[(2R)-4-methylideneoxan-2-yl]methylcyanamide
SMILESC=C1CCO[C@@H](CNC#N)C1
InChIInChI=1S/C8H12N2O/c1-7-2-3-11-8(4-7)5-10-6-9/h8,10H,1-5H2/t8-/m1/s1
InChIKeyUZQZFHREIWDHMB-MRVPVSSYSA-N
MW152.20 g/mol
LogP0.79
Rot. Bonds2

About [(2R)-4-methylideneoxan-2-yl]methylcyanamide

[(2R)-4-methylideneoxan-2-yl]methylcyanamide (PubChem CID 155718893) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is [(2R)-4-methylideneoxan-2-yl]methylcyanamide.

Molecular Properties

Compound Name[(2R)-4-methylideneoxan-2-yl]methylcyanamide
PubChem CID155718893
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name[(2R)-4-methylideneoxan-2-yl]methylcyanamide
SMILESC=C1CCO[C@@H](CNC#N)C1
InChIInChI=1S/C8H12N2O/c1-7-2-3-11-8(4-7)5-10-6-9/h8,10H,1-5H2/t8-/m1/s1
InChIKeyUZQZFHREIWDHMB-MRVPVSSYSA-N
XLogP0.79
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.79
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methylidenepent-4-enyl)morpholine
CID 118117904
2-methyl-N-[[(2R,6R)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
CID 929047
[(2S,6R)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium
CID 1795242
2-methyl-N-[[(2S,6R)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
CID 1795243
[(2R,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium
CID 1795244
2-methyl-N-[[(2R,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
CID 1795245
2-methyl-N-[(6-methyl-4-methylideneoxan-2-yl)methyl]propan-1-amine
CID 3746450
[(2R,6R)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium
CID 6955137
[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium
CID 7077086
2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
CID 7077087
2-methylidene-N-(oxan-2-ylmethyl)butan-1-amine
CID 66045229
3-methyl-N-(oxan-2-ylmethyl)but-3-en-1-amine
CID 114472180

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-methylideneoxan-2-yl]methylcyanamide?
The IUPAC name of [(2R)-4-methylideneoxan-2-yl]methylcyanamide (CID 155718893) is [(2R)-4-methylideneoxan-2-yl]methylcyanamide.
What is the SMILES notation for [(2R)-4-methylideneoxan-2-yl]methylcyanamide?
The canonical SMILES for [(2R)-4-methylideneoxan-2-yl]methylcyanamide is C=C1CCO[C@@H](CNC#N)C1.
What is the InChIKey of [(2R)-4-methylideneoxan-2-yl]methylcyanamide?
The InChIKey is UZQZFHREIWDHMB-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-7-2-3-11-8(4-7)5-10-6-9/h8,10H,1-5H2/t8-/m1/s1.
What are the key properties of [(2R)-4-methylideneoxan-2-yl]methylcyanamide?
[(2R)-4-methylideneoxan-2-yl]methylcyanamide has a molecular weight of 152.20 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-methylideneoxan-2-yl]methylcyanamide is sourced from PubChem (CID 155718893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).