N-(dicyclopropylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide

C13H19NO2 — CID 95903782

IUPACN-(dicyclopropylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)C1=CCCCO1
InChIInChI=1S/C13H19NO2/c15-13(11-3-1-2-8-16-11)14-12(9-4-5-9)10-6-7-10/h3,9-10,12H,1-2,4-8H2,(H,14,15)
InChIKeyOPFANDKTAGDBBS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.99
Rot. Bonds4

About N-(dicyclopropylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide

N-(dicyclopropylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 95903782) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID95903782
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(dicyclopropylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)C1=CCCCO1
InChIInChI=1S/C13H19NO2/c15-13(11-3-1-2-8-16-11)14-12(9-4-5-9)10-6-7-10/h3,9-10,12H,1-2,4-8H2,(H,14,15)
InChIKeyOPFANDKTAGDBBS-UHFFFAOYSA-N
XLogP1.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-(dicyclopropylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 95903782) is N-(dicyclopropylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-(dicyclopropylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NC(C1CC1)C1CC1)C1=CCCCO1.
What is the InChIKey of N-(dicyclopropylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is OPFANDKTAGDBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-13(11-3-1-2-8-16-11)14-12(9-4-5-9)10-6-7-10/h3,9-10,12H,1-2,4-8H2,(H,14,15).
What are the key properties of N-(dicyclopropylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
N-(dicyclopropylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 95903782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).