N-formyl-N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]formamide

C10H13NO3 — CID 163986522

IUPACN-formyl-N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]formamide
SMILESCOC1=CCC(CN(C=O)C=O)C=C1
InChIInChI=1S/C10H13NO3/c1-14-10-4-2-9(3-5-10)6-11(7-12)8-13/h2,4-5,7-9H,3,6H2,1H3
InChIKeyTWVPKBJOFQQGNT-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.71
Rot. Bonds5

About N-formyl-N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]formamide

N-formyl-N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]formamide (PubChem CID 163986522) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-formyl-N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]formamide.

Molecular Properties

Compound NameN-formyl-N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]formamide
PubChem CID163986522
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC NameN-formyl-N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]formamide
SMILESCOC1=CCC(CN(C=O)C=O)C=C1
InChIInChI=1S/C10H13NO3/c1-14-10-4-2-9(3-5-10)6-11(7-12)8-13/h2,4-5,7-9H,3,6H2,1H3
InChIKeyTWVPKBJOFQQGNT-UHFFFAOYSA-N
XLogP0.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-formyl-N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-formyl-N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]formamide?
The IUPAC name of N-formyl-N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]formamide (CID 163986522) is N-formyl-N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]formamide.
What is the SMILES notation for N-formyl-N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]formamide?
The canonical SMILES for N-formyl-N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]formamide is COC1=CCC(CN(C=O)C=O)C=C1.
What is the InChIKey of N-formyl-N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]formamide?
The InChIKey is TWVPKBJOFQQGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-10-4-2-9(3-5-10)6-11(7-12)8-13/h2,4-5,7-9H,3,6H2,1H3.
What are the key properties of N-formyl-N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]formamide?
N-formyl-N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]formamide has a molecular weight of 195.22 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]formamide is sourced from PubChem (CID 163986522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).