ethyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate

C11H19NO2 — CID 22498913

IUPACethyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CC=C(C(C)C)CC1
InChIInChI=1S/C11H19NO2/c1-4-14-11(13)12-7-5-10(6-8-12)9(2)3/h5,9H,4,6-8H2,1-3H3
InChIKeyDOQFONMWDZVRGP-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.43
Rot. Bonds2

About ethyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate

ethyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 22498913) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID22498913
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CC=C(C(C)C)CC1
InChIInChI=1S/C11H19NO2/c1-4-14-11(13)12-7-5-10(6-8-12)9(2)3/h5,9H,4,6-8H2,1-3H3
InChIKeyDOQFONMWDZVRGP-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 22498913) is ethyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate is CCOC(=O)N1CC=C(C(C)C)CC1.
What is the InChIKey of ethyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is DOQFONMWDZVRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-14-11(13)12-7-5-10(6-8-12)9(2)3/h5,9H,4,6-8H2,1-3H3.
What are the key properties of ethyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
ethyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 22498913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).