N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrofuran-5-carboxamide

C9H15NO3 — CID 130643212

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrofuran-5-carboxamide
SMILESCC(C)(CO)NC(=O)C1=CCCO1
InChIInChI=1S/C9H15NO3/c1-9(2,6-11)10-8(12)7-4-3-5-13-7/h4,11H,3,5-6H2,1-2H3,(H,10,12)
InChIKeyWSXYSNVKQTVQLR-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.18
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrofuran-5-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrofuran-5-carboxamide (PubChem CID 130643212) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrofuran-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrofuran-5-carboxamide
PubChem CID130643212
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrofuran-5-carboxamide
SMILESCC(C)(CO)NC(=O)C1=CCCO1
InChIInChI=1S/C9H15NO3/c1-9(2,6-11)10-8(12)7-4-3-5-13-7/h4,11H,3,5-6H2,1-2H3,(H,10,12)
InChIKeyWSXYSNVKQTVQLR-UHFFFAOYSA-N
XLogP0.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99777293
N-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 126988845
5,5-dimethyl-4-(2-oxopropoxy)-1H-pyrrol-2-one
CID 164082882
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
N-(2-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide
CID 130622158
N-(1-methylcyclobutyl)-2,3-dihydrofuran-5-carboxamide
CID 130634393
N-(2-methylbutan-2-yl)-2,3-dihydrofuran-5-carboxamide
CID 130684532
N-(1-hydroxypropan-2-yl)-2,3-dihydrofuran-5-carboxamide
CID 130701570

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrofuran-5-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrofuran-5-carboxamide (CID 130643212) is N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrofuran-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrofuran-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrofuran-5-carboxamide is CC(C)(CO)NC(=O)C1=CCCO1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrofuran-5-carboxamide?
The InChIKey is WSXYSNVKQTVQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2,6-11)10-8(12)7-4-3-5-13-7/h4,11H,3,5-6H2,1-2H3,(H,10,12).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrofuran-5-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrofuran-5-carboxamide has a molecular weight of 185.22 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrofuran-5-carboxamide is sourced from PubChem (CID 130643212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).