N-(1,3-benzodioxol-5-yl)-N-methylformamide

C9H9NO3 — CID 10261671

IUPACN-(1,3-benzodioxol-5-yl)-N-methylformamide
SMILESCN(C=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C9H9NO3/c1-10(5-11)7-2-3-8-9(4-7)13-6-12-8/h2-5H,6H2,1H3
InChIKeyLSTBRUZZZXOBPG-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.01
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-N-methylformamide

N-(1,3-benzodioxol-5-yl)-N-methylformamide (PubChem CID 10261671) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N-methylformamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N-methylformamide
PubChem CID10261671
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-N-methylformamide
SMILESCN(C=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C9H9NO3/c1-10(5-11)7-2-3-8-9(4-7)13-6-12-8/h2-5H,6H2,1H3
InChIKeyLSTBRUZZZXOBPG-UHFFFAOYSA-N
XLogP1.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-benzodioxole-5-carbonyl)phenyl]-N-methylformamide
CID 43162298
N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide
CID 110752658
N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide
CID 115157761
N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide
CID 69228367
N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide
CID 115167015
2-[1,3-benzodioxol-5-yl(methyl)amino]ethanol
CID 82112129
N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide
CID 87890859
2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138004
N-(3-bromopropyl)-N-methyl-1,3-benzodioxol-5-amine
CID 68690964
3-[1,3-benzodioxol-5-yl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 115164184
1,3-bis(1,3-benzodioxol-5-yl)-1-methylurea
CID 167788947
N'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 82492500

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N-methylformamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N-methylformamide (CID 10261671) is N-(1,3-benzodioxol-5-yl)-N-methylformamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N-methylformamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N-methylformamide is CN(C=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N-methylformamide?
The InChIKey is LSTBRUZZZXOBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-10(5-11)7-2-3-8-9(4-7)13-6-12-8/h2-5H,6H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-N-methylformamide?
N-(1,3-benzodioxol-5-yl)-N-methylformamide has a molecular weight of 179.17 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N-methylformamide is sourced from PubChem (CID 10261671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).