N-but-3-en-2-yl-2,3-dihydrofuran-5-carboxamide

C9H13NO2 — CID 130775790

IUPACN-but-3-en-2-yl-2,3-dihydrofuran-5-carboxamide
SMILESC=CC(C)NC(=O)C1=CCCO1
InChIInChI=1S/C9H13NO2/c1-3-7(2)10-9(11)8-5-4-6-12-8/h3,5,7H,1,4,6H2,2H3,(H,10,11)
InChIKeyFVTSFNYQQQOTRF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.98
Rot. Bonds3

About N-but-3-en-2-yl-2,3-dihydrofuran-5-carboxamide

N-but-3-en-2-yl-2,3-dihydrofuran-5-carboxamide (PubChem CID 130775790) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-but-3-en-2-yl-2,3-dihydrofuran-5-carboxamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-2,3-dihydrofuran-5-carboxamide
PubChem CID130775790
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-but-3-en-2-yl-2,3-dihydrofuran-5-carboxamide
SMILESC=CC(C)NC(=O)C1=CCCO1
InChIInChI=1S/C9H13NO2/c1-3-7(2)10-9(11)8-5-4-6-12-8/h3,5,7H,1,4,6H2,2H3,(H,10,11)
InChIKeyFVTSFNYQQQOTRF-UHFFFAOYSA-N
XLogP0.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-5-ethoxy-4-oxo-4H-pyran-2-carboxamide
CID 30860241
3-But-3-enoxy-1,2-dihydropyrrol-5-one
CID 19982567
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
(S)-4-Methoxy-5-methyl-1H-pyrrol-2(5H)-one
CID 10909584
4-Methoxy-5-(prop-2-en-1-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 45083040
N-methyl-2,3-dihydrofuran-5-carboxamide
CID 89344938
N-[2-[(E)-2-oxohex-3-enoxy]ethyl]but-3-enamide
CID 123876095
ethane;5-[(2E)-hepta-2,6-dienoxy]-2-methyl-2,3-dihydro-1H-pyridin-6-one
CID 144245089
N-ethyl-2-methyl-2,3-dihydrofuran-5-carboxamide
CID 164015740

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2,3-dihydrofuran-5-carboxamide?
The IUPAC name of N-but-3-en-2-yl-2,3-dihydrofuran-5-carboxamide (CID 130775790) is N-but-3-en-2-yl-2,3-dihydrofuran-5-carboxamide.
What is the SMILES notation for N-but-3-en-2-yl-2,3-dihydrofuran-5-carboxamide?
The canonical SMILES for N-but-3-en-2-yl-2,3-dihydrofuran-5-carboxamide is C=CC(C)NC(=O)C1=CCCO1.
What is the InChIKey of N-but-3-en-2-yl-2,3-dihydrofuran-5-carboxamide?
The InChIKey is FVTSFNYQQQOTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-7(2)10-9(11)8-5-4-6-12-8/h3,5,7H,1,4,6H2,2H3,(H,10,11).
What are the key properties of N-but-3-en-2-yl-2,3-dihydrofuran-5-carboxamide?
N-but-3-en-2-yl-2,3-dihydrofuran-5-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2,3-dihydrofuran-5-carboxamide is sourced from PubChem (CID 130775790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).