(2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol

C15H21NO2 — CID 25105110

IUPAC(2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol
SMILESC=C[C@H](CO)NCC(=C)COCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-15(10-17)16-9-13(2)11-18-12-14-7-5-4-6-8-14/h3-8,15-17H,1-2,9-12H2/t15-/m1/s1
InChIKeyKNUOTCUNSCJLKH-OAHLLOKOSA-N
MW247.34 g/mol
LogP1.90
Rot. Bonds9

About (2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol

(2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol (PubChem CID 25105110) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol.

Molecular Properties

Compound Name(2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol
PubChem CID25105110
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol
SMILESC=C[C@H](CO)NCC(=C)COCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-15(10-17)16-9-13(2)11-18-12-14-7-5-4-6-8-14/h3-8,15-17H,1-2,9-12H2/t15-/m1/s1
InChIKeyKNUOTCUNSCJLKH-OAHLLOKOSA-N
XLogP1.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074338
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CID 23583582
2-methylidenebut-3-enoxymethylbenzene
CID 11275317
(2S)-2-(phenylmethoxymethyl)but-3-en-1-ol
CID 124630520
1-phenylmethoxybut-3-en-2-ylhydrazine
CID 131115304
2-(dideuteriomethylidene)pent-4-enoxymethylbenzene
CID 10750202
(2R,3R)-2-ethenyl-4-phenylmethoxybutane-1,3-diol
CID 13112316
2-(phenylmethoxymethyl)prop-2-enyl 3-phenylprop-2-ynoate
CID 42624934
(2S)-2-anilinobut-3-en-1-ol
CID 130626811
N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide
CID 66177316
4-methylidene-1-phenylmethoxyheptan-2-one
CID 163622001
N-methyl-2-[(2R)-2-phenylmethoxybut-3-enoxy]acetamide
CID 166937847

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol?
The IUPAC name of (2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol (CID 25105110) is (2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol.
What is the SMILES notation for (2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol?
The canonical SMILES for (2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol is C=C[C@H](CO)NCC(=C)COCc1ccccc1.
What is the InChIKey of (2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol?
The InChIKey is KNUOTCUNSCJLKH-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-15(10-17)16-9-13(2)11-18-12-14-7-5-4-6-8-14/h3-8,15-17H,1-2,9-12H2/t15-/m1/s1.
What are the key properties of (2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol?
(2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol has a molecular weight of 247.34 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol is sourced from PubChem (CID 25105110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).