N-(5-formyl-2-methoxyphenyl)formamide

C9H9NO3 — CID 168654093

IUPACN-(5-formyl-2-methoxyphenyl)formamide
SMILESCOc1ccc(C=O)cc1NC=O
InChIInChI=1S/C9H9NO3/c1-13-9-3-2-7(5-11)4-8(9)10-6-12/h2-6H,1H3,(H,10,12)
InChIKeyDPRLUZKXWQUSFB-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.08
Rot. Bonds4

About N-(5-formyl-2-methoxyphenyl)formamide

N-(5-formyl-2-methoxyphenyl)formamide (PubChem CID 168654093) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is N-(5-formyl-2-methoxyphenyl)formamide.

Molecular Properties

Compound NameN-(5-formyl-2-methoxyphenyl)formamide
PubChem CID168654093
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC NameN-(5-formyl-2-methoxyphenyl)formamide
SMILESCOc1ccc(C=O)cc1NC=O
InChIInChI=1S/C9H9NO3/c1-13-9-3-2-7(5-11)4-8(9)10-6-12/h2-6H,1H3,(H,10,12)
InChIKeyDPRLUZKXWQUSFB-UHFFFAOYSA-N
XLogP1.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(5-formyl-2-methoxyphenyl)acetamide
CID 169448896
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
N-(4-formyl-2-methylphenyl)formamide
CID 144615218
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
N-(4-formyl-2,6-dimethoxyphenyl)formamide
CID 21281019
tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol
CID 144638830
(4-formyl-2-methoxyphenyl) methanesulfonate
CID 3650004
N-(5-formyl-2-methoxyphenyl)-2-phenylacetamide
CID 82156108
methanamine;N-(2-methoxyphenyl)formamide
CID 143368119
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
CID 58610952
3-tert-butyl-4-methoxybenzaldehyde
CID 3774604

Frequently Asked Questions

What is the IUPAC name of N-(5-formyl-2-methoxyphenyl)formamide?
The IUPAC name of N-(5-formyl-2-methoxyphenyl)formamide (CID 168654093) is N-(5-formyl-2-methoxyphenyl)formamide.
What is the SMILES notation for N-(5-formyl-2-methoxyphenyl)formamide?
The canonical SMILES for N-(5-formyl-2-methoxyphenyl)formamide is COc1ccc(C=O)cc1NC=O.
What is the InChIKey of N-(5-formyl-2-methoxyphenyl)formamide?
The InChIKey is DPRLUZKXWQUSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-13-9-3-2-7(5-11)4-8(9)10-6-12/h2-6H,1H3,(H,10,12).
What are the key properties of N-(5-formyl-2-methoxyphenyl)formamide?
N-(5-formyl-2-methoxyphenyl)formamide has a molecular weight of 179.17 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-2-methoxyphenyl)formamide is sourced from PubChem (CID 168654093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).