N-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide

C10H17NO2 — CID 126988845

IUPACN-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC(C)(C)NC(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO2/c1-10(2,3)11-9(12)8-6-4-5-7-13-8/h6H,4-5,7H2,1-3H3,(H,11,12)
InChIKeyHYQGDHNDGIGKIF-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.60
Rot. Bonds1

About N-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide

N-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 126988845) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID126988845
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC(C)(C)NC(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO2/c1-10(2,3)11-9(12)8-6-4-5-7-13-8/h6H,4-5,7H2,1-3H3,(H,11,12)
InChIKeyHYQGDHNDGIGKIF-UHFFFAOYSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99777293
2-N,6-N-ditert-butyl-4-oxopyran-2,6-dicarboxamide
CID 57583583
N,6-ditert-butyl-4-oxopyran-2-carboxamide
CID 57583591
5,5-dimethyl-4-(2-oxopropoxy)-1H-pyrrol-2-one
CID 164082882
5-Methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one
CID 11615203
N-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 86814959
N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99777294
5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide
CID 100694503
N-(2-methoxy-1,1-dimethylethyl)-6-methyl-4-oxo-4H-pyran-2-carboxamide
CID 122571870
N-butan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 126999597
N-(2-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide
CID 130622158
N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrofuran-5-carboxamide
CID 130643212

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 126988845) is N-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide is CC(C)(C)NC(=O)C1=CCCCO1.
What is the InChIKey of N-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is HYQGDHNDGIGKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)11-9(12)8-6-4-5-7-13-8/h6H,4-5,7H2,1-3H3,(H,11,12).
What are the key properties of N-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide?
N-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 126988845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).