N-butan-2-yl-2,3-dihydrofuran-5-carboxamide

C9H15NO2 — CID 130711085

IUPACN-butan-2-yl-2,3-dihydrofuran-5-carboxamide
SMILESCCC(C)NC(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-3-7(2)10-9(11)8-5-4-6-12-8/h5,7H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyJFXRCFGJNUUDQQ-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.21
Rot. Bonds3

About N-butan-2-yl-2,3-dihydrofuran-5-carboxamide

N-butan-2-yl-2,3-dihydrofuran-5-carboxamide (PubChem CID 130711085) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-butan-2-yl-2,3-dihydrofuran-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2,3-dihydrofuran-5-carboxamide
PubChem CID130711085
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-butan-2-yl-2,3-dihydrofuran-5-carboxamide
SMILESCCC(C)NC(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-3-7(2)10-9(11)8-5-4-6-12-8/h5,7H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyJFXRCFGJNUUDQQ-UHFFFAOYSA-N
XLogP1.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-5-ethoxy-4-oxo-4H-pyran-2-carboxamide
CID 30860241
6-Methyl-3-ethoxy-5,6-dihydro-2-pyridinol
CID 134612800
N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 130708560
N-(2-fluoroethyl)-2,3-dihydrofuran-5-carboxamide
CID 130723672
N-cyclopropyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 27378251
N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide
CID 89020241
2-ethyl-N-methyl-2,3-dihydrofuran-5-carboxamide
CID 89324206
N-methyl-2,3-dihydrofuran-5-carboxamide
CID 89344938
N-ethyl-2-methyl-2H-oxete-4-carboxamide
CID 91411197
(E)-N-methyl-2-[2-(methylamino)-2-oxoethoxy]-N-propan-2-ylbut-2-enamide
CID 156292712
N-ethyl-2-methyl-2,3-dihydrofuran-5-carboxamide
CID 164015740
N-[2-(methylamino)ethyl]-2,3-dihydrofuran-5-carboxamide
CID 164089218

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,3-dihydrofuran-5-carboxamide?
The IUPAC name of N-butan-2-yl-2,3-dihydrofuran-5-carboxamide (CID 130711085) is N-butan-2-yl-2,3-dihydrofuran-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-2,3-dihydrofuran-5-carboxamide?
The canonical SMILES for N-butan-2-yl-2,3-dihydrofuran-5-carboxamide is CCC(C)NC(=O)C1=CCCO1.
What is the InChIKey of N-butan-2-yl-2,3-dihydrofuran-5-carboxamide?
The InChIKey is JFXRCFGJNUUDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-7(2)10-9(11)8-5-4-6-12-8/h5,7H,3-4,6H2,1-2H3,(H,10,11).
What are the key properties of N-butan-2-yl-2,3-dihydrofuran-5-carboxamide?
N-butan-2-yl-2,3-dihydrofuran-5-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,3-dihydrofuran-5-carboxamide is sourced from PubChem (CID 130711085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).