methyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate

C10H13NO2 — CID 126722990

IUPACmethyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate
SMILESC=CC1=C(C=C)N[C@H](C(=O)OC)C1
InChIInChI=1S/C10H13NO2/c1-4-7-6-9(10(12)13-3)11-8(7)5-2/h4-5,9,11H,1-2,6H2,3H3/t9-/m0/s1
InChIKeyXSZOMQATBGMUFK-VIFPVBQESA-N
MW179.22 g/mol
LogP1.15
Rot. Bonds3

About methyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate

methyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate (PubChem CID 126722990) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate
PubChem CID126722990
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate
SMILESC=CC1=C(C=C)N[C@H](C(=O)OC)C1
InChIInChI=1S/C10H13NO2/c1-4-7-6-9(10(12)13-3)11-8(7)5-2/h4-5,9,11H,1-2,6H2,3H3/t9-/m0/s1
InChIKeyXSZOMQATBGMUFK-VIFPVBQESA-N
XLogP1.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 135031640
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Methyl 2-propylamino-3-vinyl-3-pentenoate
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methyl (2S,4E)-4-ethylidenepyrrolidin-1-ium-2-carboxylate
CID 135031639
(2S)-4-(prop-1-en-1-yl)-2,3-dihydro-1H-pyrrole-2-carboxylate
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ethyl (2S)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate
CID 45082679
methyl (2S)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate
CID 45082153
Methyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate
CID 45082154
ethyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate
CID 45082675
Methyl 5-ethyl-1,2,3,6-tetrahydropyridine-6-carboxylate
CID 53659559
ethyl 3-ethyl-2,5-dihydro-1H-pyrrole-2-carboxylate
CID 89682517
3-[(2-Ethenylcyclobuten-1-yl)amino]oxolan-2-one
CID 89960819

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate (CID 126722990) is methyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate is C=CC1=C(C=C)N[C@H](C(=O)OC)C1.
What is the InChIKey of methyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate?
The InChIKey is XSZOMQATBGMUFK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-7-6-9(10(12)13-3)11-8(7)5-2/h4-5,9,11H,1-2,6H2,3H3/t9-/m0/s1.
What are the key properties of methyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate?
methyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate has a molecular weight of 179.22 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 126722990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).