ethyl 2-propan-2-yl-2H-pyridine-1-carboxylate

C11H17NO2 — CID 12955683

IUPACethyl 2-propan-2-yl-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC=CC1C(C)C
InChIInChI=1S/C11H17NO2/c1-4-14-11(13)12-8-6-5-7-10(12)9(2)3/h5-10H,4H2,1-3H3
InChIKeyLXQJEYWTVVUSJL-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.55
Rot. Bonds2

About ethyl 2-propan-2-yl-2H-pyridine-1-carboxylate

ethyl 2-propan-2-yl-2H-pyridine-1-carboxylate (PubChem CID 12955683) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethyl 2-propan-2-yl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-propan-2-yl-2H-pyridine-1-carboxylate
PubChem CID12955683
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethyl 2-propan-2-yl-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC=CC1C(C)C
InChIInChI=1S/C11H17NO2/c1-4-14-11(13)12-8-6-5-7-10(12)9(2)3/h5-10H,4H2,1-3H3
InChIKeyLXQJEYWTVVUSJL-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1(2h)-Pyridinecarboxylic acid,2-(2-propenyl)-,methyl ester
CID 13382552
methyl 3-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382558
Methyl 2,5-di(propan-2-yl)azepine-1-carboxylate
CID 10376792
methyl 2-ethylpyridine-1(2H)-carboxylate
CID 12853359
methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382559
(r,s)-2-Butyl-4-dimethylamino-2h-pyridine-1-carboxylic acid ethyl ester
CID 13551602
ethyl 2-hex-1-ynyl-2H-pyridine-1-carboxylate
CID 24813164
ethyl (5aR,9aS)-5a,9a-dihydro-1-benzazepine-1-carboxylate
CID 134892857
ethyl (3aR,7aR)-3a,7a-dihydroindole-1-carboxylate
CID 134915718
ethenyl 2-methyl-2H-pyridine-1-carboxylate
CID 134986100
ethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate
CID 135075389
butyl 5-methyl-2H-pyridine-1-carboxylate
CID 176427874

Frequently Asked Questions

What is the IUPAC name of ethyl 2-propan-2-yl-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 2-propan-2-yl-2H-pyridine-1-carboxylate (CID 12955683) is ethyl 2-propan-2-yl-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 2-propan-2-yl-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 2-propan-2-yl-2H-pyridine-1-carboxylate is CCOC(=O)N1C=CC=CC1C(C)C.
What is the InChIKey of ethyl 2-propan-2-yl-2H-pyridine-1-carboxylate?
The InChIKey is LXQJEYWTVVUSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-14-11(13)12-8-6-5-7-10(12)9(2)3/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 2-propan-2-yl-2H-pyridine-1-carboxylate?
ethyl 2-propan-2-yl-2H-pyridine-1-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propan-2-yl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 12955683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).