N-[[[(2S,3R)-3-ethenyloxiran-2-yl]methylamino]methyl]hydroxylamine

C6H12N2O2 — CID 129016843

IUPACN-[[[(2S,3R)-3-ethenyloxiran-2-yl]methylamino]methyl]hydroxylamine
SMILESC=C[C@H]1O[C@H]1CNCNO
InChIInChI=1S/C6H12N2O2/c1-2-5-6(10-5)3-7-4-8-9/h2,5-9H,1,3-4H2/t5-,6+/m1/s1
InChIKeyWVCYTXODIVECLI-RITPCOANSA-N
MW144.17 g/mol
LogP-0.53
Rot. Bonds5

About N-[[[(2S,3R)-3-ethenyloxiran-2-yl]methylamino]methyl]hydroxylamine

N-[[[(2S,3R)-3-ethenyloxiran-2-yl]methylamino]methyl]hydroxylamine (PubChem CID 129016843) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N-[[[(2S,3R)-3-ethenyloxiran-2-yl]methylamino]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[[(2S,3R)-3-ethenyloxiran-2-yl]methylamino]methyl]hydroxylamine
PubChem CID129016843
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN-[[[(2S,3R)-3-ethenyloxiran-2-yl]methylamino]methyl]hydroxylamine
SMILESC=C[C@H]1O[C@H]1CNCNO
InChIInChI=1S/C6H12N2O2/c1-2-5-6(10-5)3-7-4-8-9/h2,5-9H,1,3-4H2/t5-,6+/m1/s1
InChIKeyWVCYTXODIVECLI-RITPCOANSA-N
XLogP-0.53
TPSA56.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,3R)-3-ethenyloxiran-2-yl]ethanol
CID 10057474
(2S,3S)-2-ethenyl-3-ethyloxirane
CID 134927722
tert-butyl N-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]carbamate
CID 100948093
4-[(3R)-3-ethenyloxiran-2-yl]butan-1-ol
CID 87561862
(Z)-6-(3-ethenyloxiran-2-yl)hex-4-enoic acid
CID 89260424
(2S,3R)-3-pent-4-enyloxirane-2-carbaldehyde
CID 23271404
N-prop-2-enylhydroxylamine;hydrate
CID 173055199
sodium;deuteriomethanethiol;(2R)-2-ethenyl-3-pentyloxirane;hydride;(2S)-3-pentyloxirane-2-carbaldehyde
CID 160571115
tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane
CID 54455655
N-(prop-2-enylamino)hydroxylamine
CID 57419302
N-[(3,3-dimethyloxiran-2-yl)methyl]prop-2-en-1-amine
CID 45076235
(4R,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
CID 89411691

Frequently Asked Questions

What is the IUPAC name of N-[[[(2S,3R)-3-ethenyloxiran-2-yl]methylamino]methyl]hydroxylamine?
The IUPAC name of N-[[[(2S,3R)-3-ethenyloxiran-2-yl]methylamino]methyl]hydroxylamine (CID 129016843) is N-[[[(2S,3R)-3-ethenyloxiran-2-yl]methylamino]methyl]hydroxylamine.
What is the SMILES notation for N-[[[(2S,3R)-3-ethenyloxiran-2-yl]methylamino]methyl]hydroxylamine?
The canonical SMILES for N-[[[(2S,3R)-3-ethenyloxiran-2-yl]methylamino]methyl]hydroxylamine is C=C[C@H]1O[C@H]1CNCNO.
What is the InChIKey of N-[[[(2S,3R)-3-ethenyloxiran-2-yl]methylamino]methyl]hydroxylamine?
The InChIKey is WVCYTXODIVECLI-RITPCOANSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-5-6(10-5)3-7-4-8-9/h2,5-9H,1,3-4H2/t5-,6+/m1/s1.
What are the key properties of N-[[[(2S,3R)-3-ethenyloxiran-2-yl]methylamino]methyl]hydroxylamine?
N-[[[(2S,3R)-3-ethenyloxiran-2-yl]methylamino]methyl]hydroxylamine has a molecular weight of 144.17 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[(2S,3R)-3-ethenyloxiran-2-yl]methylamino]methyl]hydroxylamine is sourced from PubChem (CID 129016843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).