N-methyl-1-phenylmethoxymethanimidate

C9H10NO2- — CID 123332537

IUPACN-methyl-1-phenylmethoxymethanimidate
SMILESC/N=C(\[O-])OCc1ccccc1
InChIInChI=1S/C9H11NO2/c1-10-9(11)12-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)/p-1
InChIKeyQMDPEBMTDBSGAE-UHFFFAOYSA-M
MW164.18 g/mol
LogP0.55
Rot. Bonds2

About N-methyl-1-phenylmethoxymethanimidate

N-methyl-1-phenylmethoxymethanimidate (PubChem CID 123332537) has the molecular formula C9H10NO2- and a molecular weight of 164.18 g/mol. Its IUPAC name is N-methyl-1-phenylmethoxymethanimidate.

Molecular Properties

Compound NameN-methyl-1-phenylmethoxymethanimidate
PubChem CID123332537
Molecular FormulaC9H10NO2-
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC NameN-methyl-1-phenylmethoxymethanimidate
SMILESC/N=C(\[O-])OCc1ccccc1
InChIInChI=1S/C9H11NO2/c1-10-9(11)12-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)/p-1
InChIKeyQMDPEBMTDBSGAE-UHFFFAOYSA-M
XLogP0.55
TPSA44.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

benzyl N-methylprop-2-enimidate
CID 123917828
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
lithium 1-phenylmethoxyethenolate
CID 23696401
benzyl acetate
CID 8785
sodium;O-benzyl carbamothioate;carbamothioate
CID 166769787
O-benzyl ethanethioate;hydrochloride
CID 140957923
azane;benzyl 3-phenylpropanoate
CID 175136325
CID 174906307
CID 174906307
4-oxo-4-phenylmethoxybut-2-enoate
CID 53421494
N-[(Z)-3-phenylmethoxybut-2-en-2-yl]methanimine
CID 142244740
2-phenylmethoxyprop-2-enoic acid
CID 14954752
benzyl acetate;molecular nitrogen
CID 174861862

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenylmethoxymethanimidate?
The IUPAC name of N-methyl-1-phenylmethoxymethanimidate (CID 123332537) is N-methyl-1-phenylmethoxymethanimidate.
What is the SMILES notation for N-methyl-1-phenylmethoxymethanimidate?
The canonical SMILES for N-methyl-1-phenylmethoxymethanimidate is C/N=C(\[O-])OCc1ccccc1.
What is the InChIKey of N-methyl-1-phenylmethoxymethanimidate?
The InChIKey is QMDPEBMTDBSGAE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO2/c1-10-9(11)12-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)/p-1.
What are the key properties of N-methyl-1-phenylmethoxymethanimidate?
N-methyl-1-phenylmethoxymethanimidate has a molecular weight of 164.18 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenylmethoxymethanimidate is sourced from PubChem (CID 123332537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).