[formyl(naphthalen-1-yl)amino]methyl formate

C13H11NO3 — CID 87925016

IUPAC[formyl(naphthalen-1-yl)amino]methyl formate
SMILESO=COCN(C=O)c1cccc2ccccc12
InChIInChI=1S/C13H11NO3/c15-8-14(9-17-10-16)13-7-3-5-11-4-1-2-6-12(11)13/h1-8,10H,9H2
InChIKeyJMMTZTINGVMXOF-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.93
Rot. Bonds5

About [formyl(naphthalen-1-yl)amino]methyl formate

[formyl(naphthalen-1-yl)amino]methyl formate (PubChem CID 87925016) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is [formyl(naphthalen-1-yl)amino]methyl formate.

Molecular Properties

Compound Name[formyl(naphthalen-1-yl)amino]methyl formate
PubChem CID87925016
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name[formyl(naphthalen-1-yl)amino]methyl formate
SMILESO=COCN(C=O)c1cccc2ccccc12
InChIInChI=1S/C13H11NO3/c15-8-14(9-17-10-16)13-7-3-5-11-4-1-2-6-12(11)13/h1-8,10H,9H2
InChIKeyJMMTZTINGVMXOF-UHFFFAOYSA-N
XLogP1.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylpropyl)-N-naphthalen-1-ylformamide
CID 3843226
N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-naphthalen-1-ylformamide
CID 10589912
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529
N,N-diphenylnaphthalen-1-amine
CID 11392281
N-methyl-N-naphthalen-1-yl-2-oxoacetamide
CID 115166156
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
N-hydrazinyl-N-naphthalen-1-ylnitrous amide
CID 175266149
methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate
CID 138084079
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
1-ethyl-1-naphthalen-1-ylhydrazine
CID 55252593
N-ethenyl-N-methylnaphthalen-1-amine
CID 70602093

Frequently Asked Questions

What is the IUPAC name of [formyl(naphthalen-1-yl)amino]methyl formate?
The IUPAC name of [formyl(naphthalen-1-yl)amino]methyl formate (CID 87925016) is [formyl(naphthalen-1-yl)amino]methyl formate.
What is the SMILES notation for [formyl(naphthalen-1-yl)amino]methyl formate?
The canonical SMILES for [formyl(naphthalen-1-yl)amino]methyl formate is O=COCN(C=O)c1cccc2ccccc12.
What is the InChIKey of [formyl(naphthalen-1-yl)amino]methyl formate?
The InChIKey is JMMTZTINGVMXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-8-14(9-17-10-16)13-7-3-5-11-4-1-2-6-12(11)13/h1-8,10H,9H2.
What are the key properties of [formyl(naphthalen-1-yl)amino]methyl formate?
[formyl(naphthalen-1-yl)amino]methyl formate has a molecular weight of 229.24 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [formyl(naphthalen-1-yl)amino]methyl formate is sourced from PubChem (CID 87925016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).