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

C10H17NO2 — CID 130626412

IUPACN-butan-2-yl-3,6-dihydro-2H-pyran-4-carboxamide
SMILESCCC(C)NC(=O)C1=CCOCC1
InChIInChI=1S/C10H17NO2/c1-3-8(2)11-10(12)9-4-6-13-7-5-9/h4,8H,3,5-7H2,1-2H3,(H,11,12)
InChIKeyMZDDWENIKROIOF-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.25
Rot. Bonds3

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

N-butan-2-yl-3,6-dihydro-2H-pyran-4-carboxamide (PubChem CID 130626412) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-butan-2-yl-3,6-dihydro-2H-pyran-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3,6-dihydro-2H-pyran-4-carboxamide
PubChem CID130626412
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-butan-2-yl-3,6-dihydro-2H-pyran-4-carboxamide
SMILESCCC(C)NC(=O)C1=CCOCC1
InChIInChI=1S/C10H17NO2/c1-3-8(2)11-10(12)9-4-6-13-7-5-9/h4,8H,3,5-7H2,1-2H3,(H,11,12)
InChIKeyMZDDWENIKROIOF-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,6-dihydro-2H-pyran-4-carboxamide?
The IUPAC name of N-butan-2-yl-3,6-dihydro-2H-pyran-4-carboxamide (CID 130626412) is N-butan-2-yl-3,6-dihydro-2H-pyran-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-3,6-dihydro-2H-pyran-4-carboxamide?
The canonical SMILES for N-butan-2-yl-3,6-dihydro-2H-pyran-4-carboxamide is CCC(C)NC(=O)C1=CCOCC1.
What is the InChIKey of N-butan-2-yl-3,6-dihydro-2H-pyran-4-carboxamide?
The InChIKey is MZDDWENIKROIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-8(2)11-10(12)9-4-6-13-7-5-9/h4,8H,3,5-7H2,1-2H3,(H,11,12).
What are the key properties of N-butan-2-yl-3,6-dihydro-2H-pyran-4-carboxamide?
N-butan-2-yl-3,6-dihydro-2H-pyran-4-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3,6-dihydro-2H-pyran-4-carboxamide is sourced from PubChem (CID 130626412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).