propyl 4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate

C15H20N2O2 — CID 123973628

IUPACpropyl 4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate
SMILESCCCOC(=O)C1CC=C(c2ncccc2N)CC1
InChIInChI=1S/C15H20N2O2/c1-2-10-19-15(18)12-7-5-11(6-8-12)14-13(16)4-3-9-17-14/h3-5,9,12H,2,6-8,10,16H2,1H3
InChIKeySKCPZLLGSLMTQX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.80
Rot. Bonds4

About propyl 4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate

propyl 4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate (PubChem CID 123973628) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is propyl 4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate
PubChem CID123973628
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namepropyl 4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate
SMILESCCCOC(=O)C1CC=C(c2ncccc2N)CC1
InChIInChI=1S/C15H20N2O2/c1-2-10-19-15(18)12-7-5-11(6-8-12)14-13(16)4-3-9-17-14/h3-5,9,12H,2,6-8,10,16H2,1H3
InChIKeySKCPZLLGSLMTQX-UHFFFAOYSA-N
XLogP2.80
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate?
The IUPAC name of propyl 4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate (CID 123973628) is propyl 4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for propyl 4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate?
The canonical SMILES for propyl 4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate is CCCOC(=O)C1CC=C(c2ncccc2N)CC1.
What is the InChIKey of propyl 4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate?
The InChIKey is SKCPZLLGSLMTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-10-19-15(18)12-7-5-11(6-8-12)14-13(16)4-3-9-17-14/h3-5,9,12H,2,6-8,10,16H2,1H3.
What are the key properties of propyl 4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate?
propyl 4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 123973628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).