tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate

C14H20N2O2 — CID 86618645

IUPACtert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate
SMILESC=CCc1cccc(CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H20N2O2/c1-5-7-11-8-6-9-12(16-11)10-15-13(17)18-14(2,3)4/h5-6,8-9H,1,7,10H2,2-4H3,(H,15,17)
InChIKeySUYIAMFHFRIGDW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.83
Rot. Bonds4

About tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate

tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate (PubChem CID 86618645) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate
PubChem CID86618645
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nametert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate
SMILESC=CCc1cccc(CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H20N2O2/c1-5-7-11-8-6-9-12(16-11)10-15-13(17)18-14(2,3)4/h5-6,8-9H,1,7,10H2,2-4H3,(H,15,17)
InChIKeySUYIAMFHFRIGDW-UHFFFAOYSA-N
XLogP2.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[[6-(chloromethyl)-2-pyridinyl]methyl]carbamate
CID 131092103
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate
CID 90151076
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111
tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate
CID 140925195
tert-butyl N-[[6-[(1-benzhydrylazetidin-3-yl)methyl]-2-pyridinyl]methyl]carbamate
CID 86618646
tert-butyl N-[(7-phenylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175306900
tert-butyl N-[(2-methylsulfanylpyrimidin-4-yl)methyl]carbamate
CID 91759510
tert-butyl N-[[2-(prop-2-enylamino)phenyl]methyl]carbamate
CID 101342839
tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate
CID 77231610
tert-butyl N-[(4-ethenylphenyl)methyl]carbamate
CID 86169082
tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate
CID 170897744

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate (CID 86618645) is tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate is C=CCc1cccc(CNC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate?
The InChIKey is SUYIAMFHFRIGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-7-11-8-6-9-12(16-11)10-15-13(17)18-14(2,3)4/h5-6,8-9H,1,7,10H2,2-4H3,(H,15,17).
What are the key properties of tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate?
tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate is sourced from PubChem (CID 86618645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).