N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)formamide

C14H17NO3 — CID 10800504

IUPACN-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)formamide
SMILESCc1c(C)c2c(c(C)c1NC=O)CC(C)(C=O)O2
InChIInChI=1S/C14H17NO3/c1-8-9(2)13-11(5-14(4,6-16)18-13)10(3)12(8)15-7-17/h6-7H,5H2,1-4H3,(H,15,17)
InChIKeyWTDCXJOSFXVPNJ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.07
Rot. Bonds3

About N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)formamide

N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)formamide (PubChem CID 10800504) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)formamide.

Molecular Properties

Compound NameN-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)formamide
PubChem CID10800504
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)formamide
SMILESCc1c(C)c2c(c(C)c1NC=O)CC(C)(C=O)O2
InChIInChI=1S/C14H17NO3/c1-8-9(2)13-11(5-14(4,6-16)18-13)10(3)12(8)15-7-17/h6-7H,5H2,1-4H3,(H,15,17)
InChIKeyWTDCXJOSFXVPNJ-UHFFFAOYSA-N
XLogP2.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)formamide?
The IUPAC name of N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)formamide (CID 10800504) is N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)formamide.
What is the SMILES notation for N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)formamide?
The canonical SMILES for N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)formamide is Cc1c(C)c2c(c(C)c1NC=O)CC(C)(C=O)O2.
What is the InChIKey of N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)formamide?
The InChIKey is WTDCXJOSFXVPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8-9(2)13-11(5-14(4,6-16)18-13)10(3)12(8)15-7-17/h6-7H,5H2,1-4H3,(H,15,17).
What are the key properties of N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)formamide?
N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)formamide has a molecular weight of 247.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)formamide is sourced from PubChem (CID 10800504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).