2-[1-amino-4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-6-yl]acetic acid;ethane

C13H22N2O2 — CID 142586661

IUPAC2-[1-amino-4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-6-yl]acetic acid;ethane
SMILESC=CC1=C(C=C)C(CC(=O)O)N(N)CC1.CC
InChIInChI=1S/C11H16N2O2.C2H6/c1-3-8-5-6-13(12)10(7-11(14)15)9(8)4-2;1-2/h3-4,10H,1-2,5-7,12H2,(H,14,15);1-2H3
InChIKeyPYBQGBXKSNXENA-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.10
Rot. Bonds4

About 2-[1-amino-4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-6-yl]acetic acid;ethane

2-[1-amino-4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-6-yl]acetic acid;ethane (PubChem CID 142586661) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[1-amino-4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-6-yl]acetic acid;ethane.

Molecular Properties

Compound Name2-[1-amino-4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-6-yl]acetic acid;ethane
PubChem CID142586661
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[1-amino-4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-6-yl]acetic acid;ethane
SMILESC=CC1=C(C=C)C(CC(=O)O)N(N)CC1.CC
InChIInChI=1S/C11H16N2O2.C2H6/c1-3-8-5-6-13(12)10(7-11(14)15)9(8)4-2;1-2/h3-4,10H,1-2,5-7,12H2,(H,14,15);1-2H3
InChIKeyPYBQGBXKSNXENA-UHFFFAOYSA-N
XLogP2.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-6-yl]acetic acid;ethane?
The IUPAC name of 2-[1-amino-4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-6-yl]acetic acid;ethane (CID 142586661) is 2-[1-amino-4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-6-yl]acetic acid;ethane.
What is the SMILES notation for 2-[1-amino-4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-6-yl]acetic acid;ethane?
The canonical SMILES for 2-[1-amino-4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-6-yl]acetic acid;ethane is C=CC1=C(C=C)C(CC(=O)O)N(N)CC1.CC.
What is the InChIKey of 2-[1-amino-4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-6-yl]acetic acid;ethane?
The InChIKey is PYBQGBXKSNXENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.C2H6/c1-3-8-5-6-13(12)10(7-11(14)15)9(8)4-2;1-2/h3-4,10H,1-2,5-7,12H2,(H,14,15);1-2H3.
What are the key properties of 2-[1-amino-4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-6-yl]acetic acid;ethane?
2-[1-amino-4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-6-yl]acetic acid;ethane has a molecular weight of 238.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-6-yl]acetic acid;ethane is sourced from PubChem (CID 142586661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).