N-[(1S)-1-cyclobutylethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide

C13H21NO2 — CID 99780705

IUPACN-[(1S)-1-cyclobutylethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESC[C@@H](C1CCC1)N(C)C(=O)C1=CCCCO1
InChIInChI=1S/C13H21NO2/c1-10(11-6-5-7-11)14(2)13(15)12-8-3-4-9-16-12/h8,10-11H,3-7,9H2,1-2H3/t10-/m0/s1
InChIKeyPRZUSGUZKGPCGX-JTQLQIEISA-N
MW223.32 g/mol
LogP2.33
Rot. Bonds3

About N-[(1S)-1-cyclobutylethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide

N-[(1S)-1-cyclobutylethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 99780705) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(1S)-1-cyclobutylethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclobutylethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID99780705
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(1S)-1-cyclobutylethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESC[C@@H](C1CCC1)N(C)C(=O)C1=CCCCO1
InChIInChI=1S/C13H21NO2/c1-10(11-6-5-7-11)14(2)13(15)12-8-3-4-9-16-12/h8,10-11H,3-7,9H2,1-2H3/t10-/m0/s1
InChIKeyPRZUSGUZKGPCGX-JTQLQIEISA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclobutylethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[(1S)-1-cyclobutylethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 99780705) is N-[(1S)-1-cyclobutylethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclobutylethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclobutylethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide is C[C@@H](C1CCC1)N(C)C(=O)C1=CCCCO1.
What is the InChIKey of N-[(1S)-1-cyclobutylethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is PRZUSGUZKGPCGX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(11-6-5-7-11)14(2)13(15)12-8-3-4-9-16-12/h8,10-11H,3-7,9H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-cyclobutylethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
N-[(1S)-1-cyclobutylethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclobutylethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 99780705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).