N-but-3-en-2-yl-3,6-dihydro-2H-pyran-4-carboxamide

C10H15NO2 — CID 131154155

IUPACN-but-3-en-2-yl-3,6-dihydro-2H-pyran-4-carboxamide
SMILESC=CC(C)NC(=O)C1=CCOCC1
InChIInChI=1S/C10H15NO2/c1-3-8(2)11-10(12)9-4-6-13-7-5-9/h3-4,8H,1,5-7H2,2H3,(H,11,12)
InChIKeyRHKLGAOMFWYEMU-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.02
Rot. Bonds3

About N-but-3-en-2-yl-3,6-dihydro-2H-pyran-4-carboxamide

N-but-3-en-2-yl-3,6-dihydro-2H-pyran-4-carboxamide (PubChem CID 131154155) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-but-3-en-2-yl-3,6-dihydro-2H-pyran-4-carboxamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-3,6-dihydro-2H-pyran-4-carboxamide
PubChem CID131154155
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-but-3-en-2-yl-3,6-dihydro-2H-pyran-4-carboxamide
SMILESC=CC(C)NC(=O)C1=CCOCC1
InChIInChI=1S/C10H15NO2/c1-3-8(2)11-10(12)9-4-6-13-7-5-9/h3-4,8H,1,5-7H2,2H3,(H,11,12)
InChIKeyRHKLGAOMFWYEMU-UHFFFAOYSA-N
XLogP1.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.02
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-methyl-3,6-dihydro-2H-pyran-4-carboxamide
CID 131175874
N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyran-4-carboxamide
CID 130616494
N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyran-4-carboxamide
CID 131041896
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide
CID 58548429
ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
CID 67531102
N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide
CID 70641338
Prop-2-enyl 5-methyl-2-methylidene-6-oxo-6-(propan-2-ylamino)hex-4-enoate
CID 87946907
N-butyl-2-(3,6-dihydro-2H-pyran-5-yl)acetamide
CID 10954508
4-prop-2-enoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butanamide
CID 120415002
N-ethyl-3,6-dihydro-2H-pyran-4-carboxamide
CID 126997661
N-(1-methylcyclopropyl)-3,6-dihydro-2H-pyran-4-carboxamide
CID 127012104
N-(cyanomethyl)-3,6-dihydro-2H-pyran-4-carboxamide
CID 130614540

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-3,6-dihydro-2H-pyran-4-carboxamide?
The IUPAC name of N-but-3-en-2-yl-3,6-dihydro-2H-pyran-4-carboxamide (CID 131154155) is N-but-3-en-2-yl-3,6-dihydro-2H-pyran-4-carboxamide.
What is the SMILES notation for N-but-3-en-2-yl-3,6-dihydro-2H-pyran-4-carboxamide?
The canonical SMILES for N-but-3-en-2-yl-3,6-dihydro-2H-pyran-4-carboxamide is C=CC(C)NC(=O)C1=CCOCC1.
What is the InChIKey of N-but-3-en-2-yl-3,6-dihydro-2H-pyran-4-carboxamide?
The InChIKey is RHKLGAOMFWYEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-8(2)11-10(12)9-4-6-13-7-5-9/h3-4,8H,1,5-7H2,2H3,(H,11,12).
What are the key properties of N-but-3-en-2-yl-3,6-dihydro-2H-pyran-4-carboxamide?
N-but-3-en-2-yl-3,6-dihydro-2H-pyran-4-carboxamide has a molecular weight of 181.23 g/mol, XLogP of 1.02, 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-3,6-dihydro-2H-pyran-4-carboxamide is sourced from PubChem (CID 131154155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).