benzyl N-methylprop-2-enimidate

C11H13NO — CID 123917828

IUPACbenzyl N-methylprop-2-enimidate
SMILESC=C/C(=N\C)OCc1ccccc1
InChIInChI=1S/C11H13NO/c1-3-11(12-2)13-9-10-7-5-4-6-8-10/h3-8H,1,9H2,2H3/b12-11+
InChIKeyKBCGKZGTVYSPCS-VAWYXSNFSA-N
MW175.23 g/mol
LogP2.42
Rot. Bonds3

About benzyl N-methylprop-2-enimidate

benzyl N-methylprop-2-enimidate (PubChem CID 123917828) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is benzyl N-methylprop-2-enimidate.

Molecular Properties

Compound Namebenzyl N-methylprop-2-enimidate
PubChem CID123917828
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Namebenzyl N-methylprop-2-enimidate
SMILESC=C/C(=N\C)OCc1ccccc1
InChIInChI=1S/C11H13NO/c1-3-11(12-2)13-9-10-7-5-4-6-8-10/h3-8H,1,9H2,2H3/b12-11+
InChIKeyKBCGKZGTVYSPCS-VAWYXSNFSA-N
XLogP2.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.42
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

N-methyl-1-phenylmethoxymethanimidate
CID 123332537
benzyl hydrogen carbonate;prop-2-enoic acid
CID 68849942
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
benzyl 2-methylprop-2-enoate;prop-2-enamide
CID 174871125
benzyl prop-2-enoate;but-2-enedioic acid
CID 70273802
(4-amino-4-iminobutyl) N-methylprop-2-enimidate;N-benzylbut-3-en-2-amine
CID 144769086
benzyl N-[(1Z)-3-methylpenta-1,4-dienyl]ethanimidate
CID 126706776
4-methylpenta-1,3-dien-2-yloxymethylbenzene
CID 143601127
benzyl but-3-enoate
CID 11019385
benzyl N-(aminomethylidene)carbamate
CID 54386211
[(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene
CID 134286025
N-[(Z)-3-phenylmethoxybut-2-en-2-yl]methanimine
CID 142244740

Frequently Asked Questions

What is the IUPAC name of benzyl N-methylprop-2-enimidate?
The IUPAC name of benzyl N-methylprop-2-enimidate (CID 123917828) is benzyl N-methylprop-2-enimidate.
What is the SMILES notation for benzyl N-methylprop-2-enimidate?
The canonical SMILES for benzyl N-methylprop-2-enimidate is C=C/C(=N\C)OCc1ccccc1.
What is the InChIKey of benzyl N-methylprop-2-enimidate?
The InChIKey is KBCGKZGTVYSPCS-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-11(12-2)13-9-10-7-5-4-6-8-10/h3-8H,1,9H2,2H3/b12-11+.
What are the key properties of benzyl N-methylprop-2-enimidate?
benzyl N-methylprop-2-enimidate has a molecular weight of 175.23 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methylprop-2-enimidate is sourced from PubChem (CID 123917828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).