[(2S)-oxolan-2-yl]methylcyanamide

C6H10N2O — CID 87337063

IUPAC[(2S)-oxolan-2-yl]methylcyanamide
SMILESN#CNC[C@@H]1CCCO1
InChIInChI=1S/C6H10N2O/c7-5-8-4-6-2-1-3-9-6/h6,8H,1-4H2/t6-/m0/s1
InChIKeyGKAXCNSMNQNKII-LURJTMIESA-N
MW126.16 g/mol
LogP0.24
Rot. Bonds2

About [(2S)-oxolan-2-yl]methylcyanamide

[(2S)-oxolan-2-yl]methylcyanamide (PubChem CID 87337063) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methylcyanamide.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methylcyanamide
PubChem CID87337063
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name[(2S)-oxolan-2-yl]methylcyanamide
SMILESN#CNC[C@@H]1CCCO1
InChIInChI=1S/C6H10N2O/c7-5-8-4-6-2-1-3-9-6/h6,8H,1-4H2/t6-/m0/s1
InChIKeyGKAXCNSMNQNKII-LURJTMIESA-N
XLogP0.24
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.24
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

3-(oxolan-2-ylmethylamino)propanenitrile
CID 2779328
1-cyano-2-methyl-3-[[(2S)-oxolan-2-yl]methyl]guanidine
CID 7171863
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
ethane;N-methyl-1-(oxolan-2-yl)methanamine
CID 91079378
3-[(2S)-oxolan-2-yl]propanenitrile
CID 129367969
[(2R)-oxolan-2-yl]methylhydrazine;dihydrochloride
CID 66643106
N-methyl-1-[(2R)-oxolan-2-yl]methanamine;molecular hydrogen
CID 142806903
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
3,3-dimethoxy-2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile
CID 66168021
4-(oxolan-2-ylmethylamino)benzonitrile
CID 43176893
3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile
CID 61317504
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methylcyanamide?
The IUPAC name of [(2S)-oxolan-2-yl]methylcyanamide (CID 87337063) is [(2S)-oxolan-2-yl]methylcyanamide.
What is the SMILES notation for [(2S)-oxolan-2-yl]methylcyanamide?
The canonical SMILES for [(2S)-oxolan-2-yl]methylcyanamide is N#CNC[C@@H]1CCCO1.
What is the InChIKey of [(2S)-oxolan-2-yl]methylcyanamide?
The InChIKey is GKAXCNSMNQNKII-LURJTMIESA-N. The full InChI is InChI=1S/C6H10N2O/c7-5-8-4-6-2-1-3-9-6/h6,8H,1-4H2/t6-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methylcyanamide?
[(2S)-oxolan-2-yl]methylcyanamide has a molecular weight of 126.16 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methylcyanamide is sourced from PubChem (CID 87337063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).