N-ethenyl-N-oxidopropan-2-amine

C5H10NO- — CID 163514785

IUPACN-ethenyl-N-oxidopropan-2-amine
SMILESC=CN([O-])C(C)C
InChIInChI=1S/C5H10NO/c1-4-6(7)5(2)3/h4-5H,1H2,2-3H3/q-1
InChIKeyBRFBVSSUNHUXIO-UHFFFAOYSA-N
MW100.14 g/mol
LogP1.34
Rot. Bonds2

About N-ethenyl-N-oxidopropan-2-amine

N-ethenyl-N-oxidopropan-2-amine (PubChem CID 163514785) has the molecular formula C5H10NO- and a molecular weight of 100.14 g/mol. Its IUPAC name is N-ethenyl-N-oxidopropan-2-amine.

Molecular Properties

Compound NameN-ethenyl-N-oxidopropan-2-amine
PubChem CID163514785
Molecular FormulaC5H10NO-
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC NameN-ethenyl-N-oxidopropan-2-amine
SMILESC=CN([O-])C(C)C
InChIInChI=1S/C5H10NO/c1-4-6(7)5(2)3/h4-5H,1H2,2-3H3/q-1
InChIKeyBRFBVSSUNHUXIO-UHFFFAOYSA-N
XLogP1.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(ethenyl)propan-2-amine;ethane
CID 171846694
ethane;N-ethenyl-N-methylpropan-2-amine
CID 145207975
3-methylbut-1-ene;hydrobromide
CID 158395600
N-dimethylsilyl-N-ethenylpropan-2-amine
CID 123845363
methanamine;3-methylbut-1-ene
CID 161011072
ethane;ethene;3-methylbut-1-ene
CID 145381296
(2S)-N,N-di(propan-2-yl)but-3-en-2-amine
CID 163439575
N'-ethenyl-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 143238901
buta-1,3-diene;2-methylpropane
CID 161376198
N-propan-2-yl-N-prop-2-enylpropan-2-amine
CID 558736
N-ethenylphosphanyl-N-propan-2-ylpropan-2-amine
CID 175090831
N-ethenyl-N-propan-2-ylcyclopentanamine
CID 59459585

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-oxidopropan-2-amine?
The IUPAC name of N-ethenyl-N-oxidopropan-2-amine (CID 163514785) is N-ethenyl-N-oxidopropan-2-amine.
What is the SMILES notation for N-ethenyl-N-oxidopropan-2-amine?
The canonical SMILES for N-ethenyl-N-oxidopropan-2-amine is C=CN([O-])C(C)C.
What is the InChIKey of N-ethenyl-N-oxidopropan-2-amine?
The InChIKey is BRFBVSSUNHUXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO/c1-4-6(7)5(2)3/h4-5H,1H2,2-3H3/q-1.
What are the key properties of N-ethenyl-N-oxidopropan-2-amine?
N-ethenyl-N-oxidopropan-2-amine has a molecular weight of 100.14 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-oxidopropan-2-amine is sourced from PubChem (CID 163514785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).