methyl (1-phenylethenylamino) carbonate

C10H11NO3 — CID 57258600

IUPACmethyl (1-phenylethenylamino) carbonate
SMILESC=C(NOC(=O)OC)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-8(11-14-10(12)13-2)9-6-4-3-5-7-9/h3-7,11H,1H2,2H3
InChIKeyMXDKCLAZZUCEPR-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.94
Rot. Bonds3

About methyl (1-phenylethenylamino) carbonate

methyl (1-phenylethenylamino) carbonate (PubChem CID 57258600) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl (1-phenylethenylamino) carbonate.

Molecular Properties

Compound Namemethyl (1-phenylethenylamino) carbonate
PubChem CID57258600
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl (1-phenylethenylamino) carbonate
SMILESC=C(NOC(=O)OC)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-8(11-14-10(12)13-2)9-6-4-3-5-7-9/h3-7,11H,1H2,2H3
InChIKeyMXDKCLAZZUCEPR-UHFFFAOYSA-N
XLogP1.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-(1-phenylethenyl)carbamate
CID 11636910
Phenyloxazine
CID 53643691
Amino-phenylpropene
CID 69723665
N-methoxy-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 56978932
2-(4-fluorophenyl)-N-methoxy-1-phenylethenamine
CID 56985679
3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57025597
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine
CID 57083862
1-(2,5-difluorophenyl)-N-methoxyethenamine
CID 57227492
1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57266923

Frequently Asked Questions

What is the IUPAC name of methyl (1-phenylethenylamino) carbonate?
The IUPAC name of methyl (1-phenylethenylamino) carbonate (CID 57258600) is methyl (1-phenylethenylamino) carbonate.
What is the SMILES notation for methyl (1-phenylethenylamino) carbonate?
The canonical SMILES for methyl (1-phenylethenylamino) carbonate is C=C(NOC(=O)OC)c1ccccc1.
What is the InChIKey of methyl (1-phenylethenylamino) carbonate?
The InChIKey is MXDKCLAZZUCEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-8(11-14-10(12)13-2)9-6-4-3-5-7-9/h3-7,11H,1H2,2H3.
What are the key properties of methyl (1-phenylethenylamino) carbonate?
methyl (1-phenylethenylamino) carbonate has a molecular weight of 193.20 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1-phenylethenylamino) carbonate is sourced from PubChem (CID 57258600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).