1-hydroxyethyl prop-2-enoate;N-(3-hydroxyprop-1-en-2-yl)formamide

C9H15NO5 — CID 174878591

IUPAC1-hydroxyethyl prop-2-enoate;N-(3-hydroxyprop-1-en-2-yl)formamide
SMILESC=C(CO)NC=O.C=CC(=O)OC(C)O
InChIInChI=1S/C5H8O3.C4H7NO2/c1-3-5(7)8-4(2)6;1-4(2-6)5-3-7/h3-4,6H,1H2,2H3;3,6H,1-2H2,(H,5,7)
InChIKeyQJMHYTALPKBYJO-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.71
Rot. Bonds5

About 1-hydroxyethyl prop-2-enoate;N-(3-hydroxyprop-1-en-2-yl)formamide

1-hydroxyethyl prop-2-enoate;N-(3-hydroxyprop-1-en-2-yl)formamide (PubChem CID 174878591) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-hydroxyethyl prop-2-enoate;N-(3-hydroxyprop-1-en-2-yl)formamide.

Molecular Properties

Compound Name1-hydroxyethyl prop-2-enoate;N-(3-hydroxyprop-1-en-2-yl)formamide
PubChem CID174878591
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name1-hydroxyethyl prop-2-enoate;N-(3-hydroxyprop-1-en-2-yl)formamide
SMILESC=C(CO)NC=O.C=CC(=O)OC(C)O
InChIInChI=1S/C5H8O3.C4H7NO2/c1-3-5(7)8-4(2)6;1-4(2-6)5-3-7/h3-4,6H,1H2,2H3;3,6H,1-2H2,(H,5,7)
InChIKeyQJMHYTALPKBYJO-UHFFFAOYSA-N
XLogP-0.71
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide
CID 88701752
3,3-dihydroxy-2-methylpropanoic acid;1-hydroxyethyl prop-2-enoate
CID 174945247
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
butoxysilane;1-hydroxyethyl prop-2-enoate
CID 175476207
CID 172734708
CID 172734708
1-hydroxyethyl 2-oxoacetate
CID 118499167
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
propane-1,2-diol;sulfanyl prop-2-enoate
CID 159132920
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
ethane-1,1,2-triol;methyl prop-2-enoate
CID 161139379
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
1-aminopropyl prop-2-enoate;butane
CID 87190109

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethyl prop-2-enoate;N-(3-hydroxyprop-1-en-2-yl)formamide?
The IUPAC name of 1-hydroxyethyl prop-2-enoate;N-(3-hydroxyprop-1-en-2-yl)formamide (CID 174878591) is 1-hydroxyethyl prop-2-enoate;N-(3-hydroxyprop-1-en-2-yl)formamide.
What is the SMILES notation for 1-hydroxyethyl prop-2-enoate;N-(3-hydroxyprop-1-en-2-yl)formamide?
The canonical SMILES for 1-hydroxyethyl prop-2-enoate;N-(3-hydroxyprop-1-en-2-yl)formamide is C=C(CO)NC=O.C=CC(=O)OC(C)O.
What is the InChIKey of 1-hydroxyethyl prop-2-enoate;N-(3-hydroxyprop-1-en-2-yl)formamide?
The InChIKey is QJMHYTALPKBYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C4H7NO2/c1-3-5(7)8-4(2)6;1-4(2-6)5-3-7/h3-4,6H,1H2,2H3;3,6H,1-2H2,(H,5,7).
What are the key properties of 1-hydroxyethyl prop-2-enoate;N-(3-hydroxyprop-1-en-2-yl)formamide?
1-hydroxyethyl prop-2-enoate;N-(3-hydroxyprop-1-en-2-yl)formamide has a molecular weight of 217.22 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethyl prop-2-enoate;N-(3-hydroxyprop-1-en-2-yl)formamide is sourced from PubChem (CID 174878591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).