N-(5-hydroxypentan-2-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

C12H21NO3 — CID 109478385

IUPACN-(5-hydroxypentan-2-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NC(C)CCCO)CCCO1
InChIInChI=1S/C12H21NO3/c1-9(5-3-7-14)13-12(15)11-6-4-8-16-10(11)2/h9,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyMFVVTNYUIRGLPR-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.35
Rot. Bonds5

About N-(5-hydroxypentan-2-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

N-(5-hydroxypentan-2-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 109478385) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-(5-hydroxypentan-2-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentan-2-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID109478385
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-(5-hydroxypentan-2-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NC(C)CCCO)CCCO1
InChIInChI=1S/C12H21NO3/c1-9(5-3-7-14)13-12(15)11-6-4-8-16-10(11)2/h9,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyMFVVTNYUIRGLPR-UHFFFAOYSA-N
XLogP1.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentan-2-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-(5-hydroxypentan-2-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 109478385) is N-(5-hydroxypentan-2-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-(5-hydroxypentan-2-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-(5-hydroxypentan-2-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is CC1=C(C(=O)NC(C)CCCO)CCCO1.
What is the InChIKey of N-(5-hydroxypentan-2-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is MFVVTNYUIRGLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(5-3-7-14)13-12(15)11-6-4-8-16-10(11)2/h9,14H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-(5-hydroxypentan-2-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-(5-hydroxypentan-2-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentan-2-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 109478385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).