1-(prop-1-en-2-ylamino)oxypropan-2-ol

C6H13NO2 — CID 57103924

IUPAC1-(prop-1-en-2-ylamino)oxypropan-2-ol
SMILESC=C(C)NOCC(C)O
InChIInChI=1S/C6H13NO2/c1-5(2)7-9-4-6(3)8/h6-8H,1,4H2,2-3H3
InChIKeyFGPJBNWVZNUSRU-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.42
Rot. Bonds4

About 1-(prop-1-en-2-ylamino)oxypropan-2-ol

1-(prop-1-en-2-ylamino)oxypropan-2-ol (PubChem CID 57103924) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 1-(prop-1-en-2-ylamino)oxypropan-2-ol.

Molecular Properties

Compound Name1-(prop-1-en-2-ylamino)oxypropan-2-ol
PubChem CID57103924
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name1-(prop-1-en-2-ylamino)oxypropan-2-ol
SMILESC=C(C)NOCC(C)O
InChIInChI=1S/C6H13NO2/c1-5(2)7-9-4-6(3)8/h6-8H,1,4H2,2-3H3
InChIKeyFGPJBNWVZNUSRU-UHFFFAOYSA-N
XLogP0.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-prop-1-en-2-yloxypropan-2-ol
CID 15051326
1-hydrazinyloxypropan-2-ol
CID 101409985
1-[2-(2-hydroxypropoxyamino)ethylamino]oxypropan-2-ol
CID 58004939
2-amino-3-(prop-1-en-2-ylamino)oxypropanamide
CID 57226667
2-hydroxypropyl carbamate;2-methylprop-2-enoic acid
CID 19939665
2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
2-hydroxypropyl acetate;mercury
CID 174858394
N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride
CID 87121753
2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174853602
butane-1,4-diol;2-hydroxypropyl 2-methylprop-2-enoate
CID 87278867
1-(2-methylprop-2-enoxyamino)propan-2-ol;hydrochloride
CID 173409321

Frequently Asked Questions

What is the IUPAC name of 1-(prop-1-en-2-ylamino)oxypropan-2-ol?
The IUPAC name of 1-(prop-1-en-2-ylamino)oxypropan-2-ol (CID 57103924) is 1-(prop-1-en-2-ylamino)oxypropan-2-ol.
What is the SMILES notation for 1-(prop-1-en-2-ylamino)oxypropan-2-ol?
The canonical SMILES for 1-(prop-1-en-2-ylamino)oxypropan-2-ol is C=C(C)NOCC(C)O.
What is the InChIKey of 1-(prop-1-en-2-ylamino)oxypropan-2-ol?
The InChIKey is FGPJBNWVZNUSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(2)7-9-4-6(3)8/h6-8H,1,4H2,2-3H3.
What are the key properties of 1-(prop-1-en-2-ylamino)oxypropan-2-ol?
1-(prop-1-en-2-ylamino)oxypropan-2-ol has a molecular weight of 131.17 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-1-en-2-ylamino)oxypropan-2-ol is sourced from PubChem (CID 57103924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).