N-(4-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydrofuran-2-carboxamide

C12H15NO2 — CID 163732328

IUPACN-(4-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydrofuran-2-carboxamide
SMILESCC1=CCC(NC(=O)C2CC=CO2)C=C1
InChIInChI=1S/C12H15NO2/c1-9-4-6-10(7-5-9)13-12(14)11-3-2-8-15-11/h2,4-6,8,10-11H,3,7H2,1H3,(H,13,14)
InChIKeyLARBNUUROWPLFE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.68
Rot. Bonds2

About N-(4-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydrofuran-2-carboxamide

N-(4-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydrofuran-2-carboxamide (PubChem CID 163732328) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(4-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydrofuran-2-carboxamide
PubChem CID163732328
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(4-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydrofuran-2-carboxamide
SMILESCC1=CCC(NC(=O)C2CC=CO2)C=C1
InChIInChI=1S/C12H15NO2/c1-9-4-6-10(7-5-9)13-12(14)11-3-2-8-15-11/h2,4-6,8,10-11H,3,7H2,1H3,(H,13,14)
InChIKeyLARBNUUROWPLFE-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydrofuran-2-carboxamide?
The IUPAC name of N-(4-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydrofuran-2-carboxamide (CID 163732328) is N-(4-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydrofuran-2-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydrofuran-2-carboxamide?
The canonical SMILES for N-(4-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydrofuran-2-carboxamide is CC1=CCC(NC(=O)C2CC=CO2)C=C1.
What is the InChIKey of N-(4-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydrofuran-2-carboxamide?
The InChIKey is LARBNUUROWPLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-4-6-10(7-5-9)13-12(14)11-3-2-8-15-11/h2,4-6,8,10-11H,3,7H2,1H3,(H,13,14).
What are the key properties of N-(4-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydrofuran-2-carboxamide?
N-(4-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydrofuran-2-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydrofuran-2-carboxamide is sourced from PubChem (CID 163732328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).