tert-butyl 1,3-dihydrocyclopenta[c]pyridine-2-carboxylate

C13H17NO2 — CID 141384249

IUPACtert-butyl 1,3-dihydrocyclopenta[c]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C2C=CC=C2C1
InChIInChI=1S/C13H17NO2/c1-13(2,3)16-12(15)14-8-7-10-5-4-6-11(10)9-14/h4-7H,8-9H2,1-3H3
InChIKeyWQQJVHBKVJBBDQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.66
Rot. Bonds

About tert-butyl 1,3-dihydrocyclopenta[c]pyridine-2-carboxylate

tert-butyl 1,3-dihydrocyclopenta[c]pyridine-2-carboxylate (PubChem CID 141384249) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl 1,3-dihydrocyclopenta[c]pyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,3-dihydrocyclopenta[c]pyridine-2-carboxylate
PubChem CID141384249
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nametert-butyl 1,3-dihydrocyclopenta[c]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C2C=CC=C2C1
InChIInChI=1S/C13H17NO2/c1-13(2,3)16-12(15)14-8-7-10-5-4-6-11(10)9-14/h4-7H,8-9H2,1-3H3
InChIKeyWQQJVHBKVJBBDQ-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-Butyl 4-methyl-5,6-dihydropyridine-1(2H)-carboxylate
CID 22961112
tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate
CID 13094787
Tert-butyl 10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate
CID 72990834
Tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate
CID 73040298
Tert-butyl 3-methylidene-2,6-dihydropyridine-1-carboxylate
CID 68076879
tert-Butyl 3-methyl-5,6-dihydropyridine-1(2H)-carboxylate
CID 68306290
4-vinyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
CID 69069403
t-Butyl 4-allyl-3,6-dihydropyridine-1(2h)-carboxylate
CID 129754607
tert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate
CID 163787093
tert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 72998872
tert-butyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 101443883
t-Butyl 4-(3-methylbut-2-en-1-yl)-3,6-dihydro-pyridine-1(2h)-carboxylate
CID 129754490

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,3-dihydrocyclopenta[c]pyridine-2-carboxylate?
The IUPAC name of tert-butyl 1,3-dihydrocyclopenta[c]pyridine-2-carboxylate (CID 141384249) is tert-butyl 1,3-dihydrocyclopenta[c]pyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 1,3-dihydrocyclopenta[c]pyridine-2-carboxylate?
The canonical SMILES for tert-butyl 1,3-dihydrocyclopenta[c]pyridine-2-carboxylate is CC(C)(C)OC(=O)N1CC=C2C=CC=C2C1.
What is the InChIKey of tert-butyl 1,3-dihydrocyclopenta[c]pyridine-2-carboxylate?
The InChIKey is WQQJVHBKVJBBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,3)16-12(15)14-8-7-10-5-4-6-11(10)9-14/h4-7H,8-9H2,1-3H3.
What are the key properties of tert-butyl 1,3-dihydrocyclopenta[c]pyridine-2-carboxylate?
tert-butyl 1,3-dihydrocyclopenta[c]pyridine-2-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,3-dihydrocyclopenta[c]pyridine-2-carboxylate is sourced from PubChem (CID 141384249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).