N-pent-3-ynylfuran-2-carboxamide

C10H11NO2 — CID 115977286

IUPACN-pent-3-ynylfuran-2-carboxamide
SMILESCC#CCCNC(=O)c1ccco1
InChIInChI=1S/C10H11NO2/c1-2-3-4-7-11-10(12)9-6-5-8-13-9/h5-6,8H,4,7H2,1H3,(H,11,12)
InChIKeyHESJBLVJQFKGCR-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.42
Rot. Bonds3

About N-pent-3-ynylfuran-2-carboxamide

N-pent-3-ynylfuran-2-carboxamide (PubChem CID 115977286) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-pent-3-ynylfuran-2-carboxamide.

Molecular Properties

Compound NameN-pent-3-ynylfuran-2-carboxamide
PubChem CID115977286
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC NameN-pent-3-ynylfuran-2-carboxamide
SMILESCC#CCCNC(=O)c1ccco1
InChIInChI=1S/C10H11NO2/c1-2-3-4-7-11-10(12)9-6-5-8-13-9/h5-6,8H,4,7H2,1H3,(H,11,12)
InChIKeyHESJBLVJQFKGCR-UHFFFAOYSA-N
XLogP1.42
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-pent-4-ynylfuran-2-carboxamide
CID 103708847
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[3-(ethylamino)propyl]furan-2-carboxamide
CID 43601657
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349
N-[2-(2-hydroxyethylamino)ethyl]furan-2-carboxamide
CID 3155965
N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide
CID 119278256
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624

Frequently Asked Questions

What is the IUPAC name of N-pent-3-ynylfuran-2-carboxamide?
The IUPAC name of N-pent-3-ynylfuran-2-carboxamide (CID 115977286) is N-pent-3-ynylfuran-2-carboxamide.
What is the SMILES notation for N-pent-3-ynylfuran-2-carboxamide?
The canonical SMILES for N-pent-3-ynylfuran-2-carboxamide is CC#CCCNC(=O)c1ccco1.
What is the InChIKey of N-pent-3-ynylfuran-2-carboxamide?
The InChIKey is HESJBLVJQFKGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-3-4-7-11-10(12)9-6-5-8-13-9/h5-6,8H,4,7H2,1H3,(H,11,12).
What are the key properties of N-pent-3-ynylfuran-2-carboxamide?
N-pent-3-ynylfuran-2-carboxamide has a molecular weight of 177.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-3-ynylfuran-2-carboxamide is sourced from PubChem (CID 115977286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).