1-(2,5-dihydroxypyrrol-1-yl)propan-2-yl 2-methylprop-2-enoate

C11H15NO4 — CID 90959263

IUPAC1-(2,5-dihydroxypyrrol-1-yl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)Cn1c(O)ccc1O
InChIInChI=1S/C11H15NO4/c1-7(2)11(15)16-8(3)6-12-9(13)4-5-10(12)14/h4-5,8,13-14H,1,6H2,2-3H3
InChIKeyXWDVVVCXHQGZHA-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.41
Rot. Bonds4

About 1-(2,5-dihydroxypyrrol-1-yl)propan-2-yl 2-methylprop-2-enoate

1-(2,5-dihydroxypyrrol-1-yl)propan-2-yl 2-methylprop-2-enoate (PubChem CID 90959263) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-(2,5-dihydroxypyrrol-1-yl)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(2,5-dihydroxypyrrol-1-yl)propan-2-yl 2-methylprop-2-enoate
PubChem CID90959263
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name1-(2,5-dihydroxypyrrol-1-yl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)Cn1c(O)ccc1O
InChIInChI=1S/C11H15NO4/c1-7(2)11(15)16-8(3)6-12-9(13)4-5-10(12)14/h4-5,8,13-14H,1,6H2,2-3H3
InChIKeyXWDVVVCXHQGZHA-UHFFFAOYSA-N
XLogP1.41
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Acetyloxy-2-(2,5-dihydroxypyrrol-1-yl)acetic acid
CID 53657203
1-(2,5-Dihydroxypyrrol-1-yl)propan-2-yl prop-2-enoate
CID 53780779
4-(2,5-Dihydroxypyrrol-1-yl)butanoic acid
CID 53867299
Tert-butyl 2-(2,5-dihydroxypyrrol-1-yl)acetate
CID 53877464
3-(2,5-Dihydroxypyrrol-1-yl)-2,2-dimethylpropanoic acid
CID 53929637
2-(2,5-Dihydroxypyrrol-1-yl)ethyl prop-2-enoate
CID 53937039
[(2S)-2-(2,5-dihydroxypyrrol-1-yl)oxolan-3-yl] hydrogen carbonate
CID 53976419
[(3S)-2-(2,5-dihydroxypyrrol-1-yl)oxolan-3-yl] hydrogen carbonate
CID 53976420
2-(2,5-Dihydroxypyrrol-1-yl)ethyl 2-methylprop-2-enoate
CID 54059858
[2-(2,5-Dihydroxypyrrol-1-yl)ethanethioyl] acetate
CID 54077955
3-(2,5-Dihydroxypyrrol-1-yl)-2-methoxypropanoic acid
CID 54096059
2-(2,5-Dihydroxypyrrol-1-yl)ethyl 3-oxobutanoate
CID 54243762

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydroxypyrrol-1-yl)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1-(2,5-dihydroxypyrrol-1-yl)propan-2-yl 2-methylprop-2-enoate (CID 90959263) is 1-(2,5-dihydroxypyrrol-1-yl)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(2,5-dihydroxypyrrol-1-yl)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-(2,5-dihydroxypyrrol-1-yl)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)Cn1c(O)ccc1O.
What is the InChIKey of 1-(2,5-dihydroxypyrrol-1-yl)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is XWDVVVCXHQGZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7(2)11(15)16-8(3)6-12-9(13)4-5-10(12)14/h4-5,8,13-14H,1,6H2,2-3H3.
What are the key properties of 1-(2,5-dihydroxypyrrol-1-yl)propan-2-yl 2-methylprop-2-enoate?
1-(2,5-dihydroxypyrrol-1-yl)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 225.24 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydroxypyrrol-1-yl)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 90959263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).