ethyl N-methylbenzenecarboximidate

C10H13NO — CID 13067965

IUPACethyl N-methylbenzenecarboximidate
SMILESCCO/C(=N\C)c1ccccc1
InChIInChI=1S/C10H13NO/c1-3-12-10(11-2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3/b11-10-
InChIKeyCVNAKYKSGWLWEK-KHPPLWFESA-N
MW163.22 g/mol
LogP2.10
Rot. Bonds2

About ethyl N-methylbenzenecarboximidate

ethyl N-methylbenzenecarboximidate (PubChem CID 13067965) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is ethyl N-methylbenzenecarboximidate.

Molecular Properties

Compound Nameethyl N-methylbenzenecarboximidate
PubChem CID13067965
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Nameethyl N-methylbenzenecarboximidate
SMILESCCO/C(=N\C)c1ccccc1
InChIInChI=1S/C10H13NO/c1-3-12-10(11-2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3/b11-10-
InChIKeyCVNAKYKSGWLWEK-KHPPLWFESA-N
XLogP2.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
Benzyl methyl ether
CID 10869
Allyl benzyl ether
CID 84542
4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
2-Phenyl-2-oxazoline
CID 244030
3-(Benzyloxy)propionitrile
CID 80620
4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline
CID 254960
(4-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 226853
Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)
CID 79249
2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole)
CID 81929

Frequently Asked Questions

What is the IUPAC name of ethyl N-methylbenzenecarboximidate?
The IUPAC name of ethyl N-methylbenzenecarboximidate (CID 13067965) is ethyl N-methylbenzenecarboximidate.
What is the SMILES notation for ethyl N-methylbenzenecarboximidate?
The canonical SMILES for ethyl N-methylbenzenecarboximidate is CCO/C(=N\C)c1ccccc1.
What is the InChIKey of ethyl N-methylbenzenecarboximidate?
The InChIKey is CVNAKYKSGWLWEK-KHPPLWFESA-N. The full InChI is InChI=1S/C10H13NO/c1-3-12-10(11-2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3/b11-10-.
What are the key properties of ethyl N-methylbenzenecarboximidate?
ethyl N-methylbenzenecarboximidate has a molecular weight of 163.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methylbenzenecarboximidate is sourced from PubChem (CID 13067965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).