N-[1-(cyclohexen-1-yl)ethyl]-6-methyl-4-oxopyran-2-carboxamide

C15H19NO3 — CID 131892469

IUPACN-[1-(cyclohexen-1-yl)ethyl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC(C)C2=CCCCC2)o1
InChIInChI=1S/C15H19NO3/c1-10-8-13(17)9-14(19-10)15(18)16-11(2)12-6-4-3-5-7-12/h6,8-9,11H,3-5,7H2,1-2H3,(H,16,18)
InChIKeyVFYWFBSNJDUCHS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.57
Rot. Bonds3

About N-[1-(cyclohexen-1-yl)ethyl]-6-methyl-4-oxopyran-2-carboxamide

N-[1-(cyclohexen-1-yl)ethyl]-6-methyl-4-oxopyran-2-carboxamide (PubChem CID 131892469) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[1-(cyclohexen-1-yl)ethyl]-6-methyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexen-1-yl)ethyl]-6-methyl-4-oxopyran-2-carboxamide
PubChem CID131892469
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[1-(cyclohexen-1-yl)ethyl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC(C)C2=CCCCC2)o1
InChIInChI=1S/C15H19NO3/c1-10-8-13(17)9-14(19-10)15(18)16-11(2)12-6-4-3-5-7-12/h6,8-9,11H,3-5,7H2,1-2H3,(H,16,18)
InChIKeyVFYWFBSNJDUCHS-UHFFFAOYSA-N
XLogP2.57
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexen-1-yl)ethyl]-6-methyl-4-oxopyran-2-carboxamide?
The IUPAC name of N-[1-(cyclohexen-1-yl)ethyl]-6-methyl-4-oxopyran-2-carboxamide (CID 131892469) is N-[1-(cyclohexen-1-yl)ethyl]-6-methyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-[1-(cyclohexen-1-yl)ethyl]-6-methyl-4-oxopyran-2-carboxamide?
The canonical SMILES for N-[1-(cyclohexen-1-yl)ethyl]-6-methyl-4-oxopyran-2-carboxamide is Cc1cc(=O)cc(C(=O)NC(C)C2=CCCCC2)o1.
What is the InChIKey of N-[1-(cyclohexen-1-yl)ethyl]-6-methyl-4-oxopyran-2-carboxamide?
The InChIKey is VFYWFBSNJDUCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-8-13(17)9-14(19-10)15(18)16-11(2)12-6-4-3-5-7-12/h6,8-9,11H,3-5,7H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(cyclohexen-1-yl)ethyl]-6-methyl-4-oxopyran-2-carboxamide?
N-[1-(cyclohexen-1-yl)ethyl]-6-methyl-4-oxopyran-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexen-1-yl)ethyl]-6-methyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 131892469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).