N-[(Z)-3-oxooct-1-enyl]furan-2-carboxamide

C13H17NO3 — CID 134951622

IUPACN-[(Z)-3-oxooct-1-enyl]furan-2-carboxamide
SMILESCCCCCC(=O)/C=C\NC(=O)c1ccco1
InChIInChI=1S/C13H17NO3/c1-2-3-4-6-11(15)8-9-14-13(16)12-7-5-10-17-12/h5,7-10H,2-4,6H2,1H3,(H,14,16)/b9-8-
InChIKeyDGVCECKHAYDMCM-HJWRWDBZSA-N
MW235.28 g/mol
LogP2.67
Rot. Bonds7

About N-[(Z)-3-oxooct-1-enyl]furan-2-carboxamide

N-[(Z)-3-oxooct-1-enyl]furan-2-carboxamide (PubChem CID 134951622) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[(Z)-3-oxooct-1-enyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-3-oxooct-1-enyl]furan-2-carboxamide
PubChem CID134951622
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[(Z)-3-oxooct-1-enyl]furan-2-carboxamide
SMILESCCCCCC(=O)/C=C\NC(=O)c1ccco1
InChIInChI=1S/C13H17NO3/c1-2-3-4-6-11(15)8-9-14-13(16)12-7-5-10-17-12/h5,7-10H,2-4,6H2,1H3,(H,14,16)/b9-8-
InChIKeyDGVCECKHAYDMCM-HJWRWDBZSA-N
XLogP2.67
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-[(E)-prop-1-enyl]furan-2-carboxamide
CID 131242879
1-(furan-2-yl)undecan-1-one
CID 15721327
N-[(E)-1-(furan-2-yl)ethylideneamino]undecanamide
CID 6260551
N-[1-(furan-2-yl)ethylideneamino]undecanamide
CID 5060301
furan-2-carboxylic acid;hexane
CID 157215891
1-(furan-2-yl)-2-methyldecane-1,3-dione
CID 62633228
N'-(4-hexylbenzoyl)furan-2-carbohydrazide
CID 6733621
N'-(4-methylnon-1-en-4-yl)furan-2-carbohydrazide
CID 134860431
N-(dodecylcarbamothioyl)furan-2-carboxamide
CID 10958704
N-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide
CID 4999715
N-butyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389809

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-oxooct-1-enyl]furan-2-carboxamide?
The IUPAC name of N-[(Z)-3-oxooct-1-enyl]furan-2-carboxamide (CID 134951622) is N-[(Z)-3-oxooct-1-enyl]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-3-oxooct-1-enyl]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-3-oxooct-1-enyl]furan-2-carboxamide is CCCCCC(=O)/C=C\NC(=O)c1ccco1.
What is the InChIKey of N-[(Z)-3-oxooct-1-enyl]furan-2-carboxamide?
The InChIKey is DGVCECKHAYDMCM-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-3-4-6-11(15)8-9-14-13(16)12-7-5-10-17-12/h5,7-10H,2-4,6H2,1H3,(H,14,16)/b9-8-.
What are the key properties of N-[(Z)-3-oxooct-1-enyl]furan-2-carboxamide?
N-[(Z)-3-oxooct-1-enyl]furan-2-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-oxooct-1-enyl]furan-2-carboxamide is sourced from PubChem (CID 134951622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).