tert-butyl 6-deuterio-3,4-dihydro-2H-pyridine-1-carboxylate

C10H17NO2 — CID 10081084

IUPACtert-butyl 6-deuterio-3,4-dihydro-2H-pyridine-1-carboxylate
SMILES[2H]C1=CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h5,7H,4,6,8H2,1-3H3/i7D
InChIKeyVIBQTJLMJANION-WHRKIXHSSA-N
MW184.26 g/mol
LogP2.53
Rot. Bonds

About tert-butyl 6-deuterio-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl 6-deuterio-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 10081084) has the molecular formula C10H17NO2 and a molecular weight of 184.26 g/mol. Its IUPAC name is tert-butyl 6-deuterio-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-deuterio-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID10081084
Molecular FormulaC10H17NO2
Molecular Weight184.26 g/mol
Exact Mass184.13
IUPAC Nametert-butyl 6-deuterio-3,4-dihydro-2H-pyridine-1-carboxylate
SMILES[2H]C1=CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h5,7H,4,6,8H2,1-3H3/i7D
InChIKeyVIBQTJLMJANION-WHRKIXHSSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-deuterio-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-deuterio-3,4-dihydro-2H-pyridine-1-carboxylate (CID 10081084) is tert-butyl 6-deuterio-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-deuterio-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-deuterio-3,4-dihydro-2H-pyridine-1-carboxylate is [2H]C1=CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-deuterio-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is VIBQTJLMJANION-WHRKIXHSSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h5,7H,4,6,8H2,1-3H3/i7D.
What are the key properties of tert-butyl 6-deuterio-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 6-deuterio-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 184.26 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-deuterio-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 10081084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).