N-pent-1-yn-3-yl-2,3-dihydrofuran-5-carboxamide

C10H13NO2 — CID 130627716

IUPACN-pent-1-yn-3-yl-2,3-dihydrofuran-5-carboxamide
SMILESC#CC(CC)NC(=O)C1=CCCO1
InChIInChI=1S/C10H13NO2/c1-3-8(4-2)11-10(12)9-6-5-7-13-9/h1,6,8H,4-5,7H2,2H3,(H,11,12)
InChIKeyKKZCWOXCBUWDCK-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.82
Rot. Bonds3

About N-pent-1-yn-3-yl-2,3-dihydrofuran-5-carboxamide

N-pent-1-yn-3-yl-2,3-dihydrofuran-5-carboxamide (PubChem CID 130627716) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-pent-1-yn-3-yl-2,3-dihydrofuran-5-carboxamide.

Molecular Properties

Compound NameN-pent-1-yn-3-yl-2,3-dihydrofuran-5-carboxamide
PubChem CID130627716
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-pent-1-yn-3-yl-2,3-dihydrofuran-5-carboxamide
SMILESC#CC(CC)NC(=O)C1=CCCO1
InChIInChI=1S/C10H13NO2/c1-3-8(4-2)11-10(12)9-6-5-7-13-9/h1,6,8H,4-5,7H2,2H3,(H,11,12)
InChIKeyKKZCWOXCBUWDCK-UHFFFAOYSA-N
XLogP0.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-3-ethoxy-5,6-dihydro-2-pyridinol
CID 134612800
1-ethyl-4-methoxy-5-oxo-N-prop-2-ynyl-2H-pyrrole-2-carboxamide
CID 89480247
N-ethyl-2-methyl-2,3-dihydrofuran-5-carboxamide
CID 164015740
N-[2-(methylamino)ethyl]-2,3-dihydrofuran-5-carboxamide
CID 164089218
N-isopropyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 45537836
1,5-Dihydro-3-methoxy-5-methyl-2H-pyrrol-2-one
CID 55286648
2-N,6-N-bis(but-3-yn-2-yl)-4-methyl-4H-pyran-2,6-dicarboxamide
CID 122151720
2-N,6-N-bis[(2S)-but-3-yn-2-yl]-4-methyl-4H-pyran-2,6-dicarboxamide
CID 125533251
2-N,6-N-bis[(2R)-but-3-yn-2-yl]-4-methyl-4H-pyran-2,6-dicarboxamide
CID 125533252
6-N-[(2R)-but-3-yn-2-yl]-2-N-[(2S)-but-3-yn-2-yl]-4-methyl-4H-pyran-2,6-dicarboxamide
CID 125533253
N-prop-2-ynyl-2,3-dihydrofuran-5-carboxamide
CID 126999358
N-(3-methylcyclobutyl)-2,3-dihydrofuran-5-carboxamide
CID 126999413

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-yl-2,3-dihydrofuran-5-carboxamide?
The IUPAC name of N-pent-1-yn-3-yl-2,3-dihydrofuran-5-carboxamide (CID 130627716) is N-pent-1-yn-3-yl-2,3-dihydrofuran-5-carboxamide.
What is the SMILES notation for N-pent-1-yn-3-yl-2,3-dihydrofuran-5-carboxamide?
The canonical SMILES for N-pent-1-yn-3-yl-2,3-dihydrofuran-5-carboxamide is C#CC(CC)NC(=O)C1=CCCO1.
What is the InChIKey of N-pent-1-yn-3-yl-2,3-dihydrofuran-5-carboxamide?
The InChIKey is KKZCWOXCBUWDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-8(4-2)11-10(12)9-6-5-7-13-9/h1,6,8H,4-5,7H2,2H3,(H,11,12).
What are the key properties of N-pent-1-yn-3-yl-2,3-dihydrofuran-5-carboxamide?
N-pent-1-yn-3-yl-2,3-dihydrofuran-5-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-yl-2,3-dihydrofuran-5-carboxamide is sourced from PubChem (CID 130627716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).