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

C9H15NO2 — CID 101149477

IUPACethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CCCC=C1C
InChIInChI=1S/C9H15NO2/c1-3-12-9(11)10-7-5-4-6-8(10)2/h6H,3-5,7H2,1-2H3
InChIKeyFDOYOBHOOTXDMR-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.14
Rot. Bonds1

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

ethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 101149477) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is ethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID101149477
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CCCC=C1C
InChIInChI=1S/C9H15NO2/c1-3-12-9(11)10-7-5-4-6-8(10)2/h6H,3-5,7H2,1-2H3
InChIKeyFDOYOBHOOTXDMR-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 15202059
ethyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 12224400
ethyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 12582758
Ethyl 5-methyl-2,3-dihydro-1H-pyrrole-1-carboxylate
CID 11147842
ethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate
CID 101149474
ethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate
CID 101149478
Methyl 7-methyl-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 134830688
tert-butyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10489287
3-methyl-4,6,7,8-tetrahydro-3H-pyrido[1,2-c][1,3]oxazin-1-one
CID 11263710
Methyl 6-cyano-3,4-dihydropyridine-1(2H)-carboxylate
CID 15321815
ethyl 2-methyl-4H-pyridine-1-carboxylate
CID 13191056
Ethyl 4-(cyclopenten-1-yl)piperazine-1-carboxylate
CID 15538630

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 101149477) is ethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate is CCOC(=O)N1CCCC=C1C.
What is the InChIKey of ethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is FDOYOBHOOTXDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-12-9(11)10-7-5-4-6-8(10)2/h6H,3-5,7H2,1-2H3.
What are the key properties of ethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
ethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 101149477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).