cyclopentyl (3S)-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate

C19H25NO2 — CID 97302045

IUPACcyclopentyl (3S)-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate
SMILESCCN1CC=C(c2ccccc2)[C@H](C(=O)OC2CCCC2)C1
InChIInChI=1S/C19H25NO2/c1-2-20-13-12-17(15-8-4-3-5-9-15)18(14-20)19(21)22-16-10-6-7-11-16/h3-5,8-9,12,16,18H,2,6-7,10-11,13-14H2,1H3/t18-/m1/s1
InChIKeyAGFUTASWCUDNBN-GOSISDBHSA-N
MW299.41 g/mol
LogP3.51
Rot. Bonds4

About cyclopentyl (3S)-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate

cyclopentyl (3S)-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate (PubChem CID 97302045) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is cyclopentyl (3S)-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate.

Molecular Properties

Compound Namecyclopentyl (3S)-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate
PubChem CID97302045
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Namecyclopentyl (3S)-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate
SMILESCCN1CC=C(c2ccccc2)[C@H](C(=O)OC2CCCC2)C1
InChIInChI=1S/C19H25NO2/c1-2-20-13-12-17(15-8-4-3-5-9-15)18(14-20)19(21)22-16-10-6-7-11-16/h3-5,8-9,12,16,18H,2,6-7,10-11,13-14H2,1H3/t18-/m1/s1
InChIKeyAGFUTASWCUDNBN-GOSISDBHSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl (3S)-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate?
The IUPAC name of cyclopentyl (3S)-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate (CID 97302045) is cyclopentyl (3S)-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate.
What is the SMILES notation for cyclopentyl (3S)-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate?
The canonical SMILES for cyclopentyl (3S)-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate is CCN1CC=C(c2ccccc2)[C@H](C(=O)OC2CCCC2)C1.
What is the InChIKey of cyclopentyl (3S)-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate?
The InChIKey is AGFUTASWCUDNBN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25NO2/c1-2-20-13-12-17(15-8-4-3-5-9-15)18(14-20)19(21)22-16-10-6-7-11-16/h3-5,8-9,12,16,18H,2,6-7,10-11,13-14H2,1H3/t18-/m1/s1.
What are the key properties of cyclopentyl (3S)-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate?
cyclopentyl (3S)-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (3S)-1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate is sourced from PubChem (CID 97302045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).