(2S)-4-prop-1-en-2-yl-2,5-dihydropyrrole-1,2-dicarboxylic acid

C9H11NO4 — CID 170165570

IUPAC(2S)-4-prop-1-en-2-yl-2,5-dihydropyrrole-1,2-dicarboxylic acid
SMILESC=C(C)C1=C[C@@H](C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C9H11NO4/c1-5(2)6-3-7(8(11)12)10(4-6)9(13)14/h3,7H,1,4H2,2H3,(H,11,12)(H,13,14)/t7-/m0/s1
InChIKeyILDUVZHNGTVYFH-ZETCQYMHSA-N
MW197.19 g/mol
LogP0.94
Rot. Bonds2

About (2S)-4-prop-1-en-2-yl-2,5-dihydropyrrole-1,2-dicarboxylic acid

(2S)-4-prop-1-en-2-yl-2,5-dihydropyrrole-1,2-dicarboxylic acid (PubChem CID 170165570) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is (2S)-4-prop-1-en-2-yl-2,5-dihydropyrrole-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2S)-4-prop-1-en-2-yl-2,5-dihydropyrrole-1,2-dicarboxylic acid
PubChem CID170165570
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name(2S)-4-prop-1-en-2-yl-2,5-dihydropyrrole-1,2-dicarboxylic acid
SMILESC=C(C)C1=C[C@@H](C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C9H11NO4/c1-5(2)6-3-7(8(11)12)10(4-6)9(13)14/h3,7H,1,4H2,2H3,(H,11,12)(H,13,14)/t7-/m0/s1
InChIKeyILDUVZHNGTVYFH-ZETCQYMHSA-N
XLogP0.94
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclohexen-1-yl)-2,5-dihydropyrrole-1,2-dicarboxylic acid
CID 170160411
3,3-dimethyl-4-methylidenepyrrolidine-1,2-dicarboxylic acid
CID 91307252
2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid
CID 66733574
[(1R)-3-prop-1-en-2-ylcyclopent-2-en-1-yl] acetate
CID 56590409
(2S)-4-methoxy-1-(2-methyl-3-sulfanylpropanoyl)-2,5-dihydropyrrole-2-carboxylic acid
CID 14036353
(2S)-5-ethoxycarbonyl-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 90885660
piperazine-1,2,3,4-tetracarboxylic acid
CID 167313718
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
(2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid
CID 177212552
2-tert-butyl-5-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboxylic acid
CID 174225995
3-(hydroxymethyl)-6-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 118917610
1-(3-ethylcyclobuten-1-yl)ethanone
CID 130027343

Frequently Asked Questions

What is the IUPAC name of (2S)-4-prop-1-en-2-yl-2,5-dihydropyrrole-1,2-dicarboxylic acid?
The IUPAC name of (2S)-4-prop-1-en-2-yl-2,5-dihydropyrrole-1,2-dicarboxylic acid (CID 170165570) is (2S)-4-prop-1-en-2-yl-2,5-dihydropyrrole-1,2-dicarboxylic acid.
What is the SMILES notation for (2S)-4-prop-1-en-2-yl-2,5-dihydropyrrole-1,2-dicarboxylic acid?
The canonical SMILES for (2S)-4-prop-1-en-2-yl-2,5-dihydropyrrole-1,2-dicarboxylic acid is C=C(C)C1=C[C@@H](C(=O)O)N(C(=O)O)C1.
What is the InChIKey of (2S)-4-prop-1-en-2-yl-2,5-dihydropyrrole-1,2-dicarboxylic acid?
The InChIKey is ILDUVZHNGTVYFH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11NO4/c1-5(2)6-3-7(8(11)12)10(4-6)9(13)14/h3,7H,1,4H2,2H3,(H,11,12)(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-4-prop-1-en-2-yl-2,5-dihydropyrrole-1,2-dicarboxylic acid?
(2S)-4-prop-1-en-2-yl-2,5-dihydropyrrole-1,2-dicarboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-prop-1-en-2-yl-2,5-dihydropyrrole-1,2-dicarboxylic acid is sourced from PubChem (CID 170165570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).