(2S)-4-[(E)-prop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid

C8H11NO2 — CID 146037169

IUPAC(2S)-4-[(E)-prop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid
SMILESC/C=C/C1=CN[C@H](C(=O)O)C1
InChIInChI=1S/C8H11NO2/c1-2-3-6-4-7(8(10)11)9-5-6/h2-3,5,7,9H,4H2,1H3,(H,10,11)/b3-2+/t7-/m0/s1
InChIKeyPCLVGMMUQHMCRN-AIYRYJHASA-N
MW153.18 g/mol
LogP0.89
Rot. Bonds2

About (2S)-4-[(E)-prop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid

(2S)-4-[(E)-prop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid (PubChem CID 146037169) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (2S)-4-[(E)-prop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[(E)-prop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid
PubChem CID146037169
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(2S)-4-[(E)-prop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid
SMILESC/C=C/C1=CN[C@H](C(=O)O)C1
InChIInChI=1S/C8H11NO2/c1-2-3-6-4-7(8(10)11)9-5-6/h2-3,5,7,9H,4H2,1H3,(H,10,11)/b3-2+/t7-/m0/s1
InChIKeyPCLVGMMUQHMCRN-AIYRYJHASA-N
XLogP0.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-formyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
CID 126622989
(2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
CID 13387957
4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
CID 169091419
(2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid
CID 177295796
1,2,3,6-tetrahydroazepino[4,5-b]indole-2,5-dicarboxylic acid
CID 66768541
1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one
CID 163241834
5-formyl-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid
CID 142059042
(2S,4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 89083298
(4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 143979707
methane;(2S)-4-oxoazetidine-2-carboxylic acid
CID 143306499
4-oxoazetidine-2-carboxylic acid;hydrochloride
CID 162462480
1,4-bis[(E)-prop-1-enyl]cyclopenta-1,3-diene
CID 59289880

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(E)-prop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The IUPAC name of (2S)-4-[(E)-prop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid (CID 146037169) is (2S)-4-[(E)-prop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[(E)-prop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for (2S)-4-[(E)-prop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid is C/C=C/C1=CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S)-4-[(E)-prop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The InChIKey is PCLVGMMUQHMCRN-AIYRYJHASA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-3-6-4-7(8(10)11)9-5-6/h2-3,5,7,9H,4H2,1H3,(H,10,11)/b3-2+/t7-/m0/s1.
What are the key properties of (2S)-4-[(E)-prop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
(2S)-4-[(E)-prop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(E)-prop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 146037169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).