methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate

C12H14N2O3 — CID 90120952

IUPACmethyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate
SMILESCOC(=O)N/N=C/C=C/c1ccc(OC)cc1
InChIInChI=1S/C12H14N2O3/c1-16-11-7-5-10(6-8-11)4-3-9-13-14-12(15)17-2/h3-9H,1-2H3,(H,14,15)/b4-3+,13-9+
InChIKeyMJIAYQMACKHDNJ-GUNLQBCDSA-N
MW234.25 g/mol
LogP2.05
Rot. Bonds4

About methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate

methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate (PubChem CID 90120952) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate
PubChem CID90120952
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate
SMILESCOC(=O)N/N=C/C=C/c1ccc(OC)cc1
InChIInChI=1S/C12H14N2O3/c1-16-11-7-5-10(6-8-11)4-3-9-13-14-12(15)17-2/h3-9H,1-2H3,(H,14,15)/b4-3+,13-9+
InChIKeyMJIAYQMACKHDNJ-GUNLQBCDSA-N
XLogP2.05
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea
CID 93084415
2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide
CID 4656498
2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide
CID 6874055
N-[3-(2-cinnamylidenehydrazinyl)-3-oxopropyl]-4-methoxybenzamide
CID 4552052
N-[3-(4-methoxyphenyl)prop-2-enylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 3394725
methyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]butanoate
CID 24752690
3-(4-methoxyphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6861965
(E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine
CID 14494147
1-[(4-methoxyphenyl)methyl]-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
CID 9176276
methyl N-[3-(4-methoxyphenyl)prop-2-enoylamino]carbamate
CID 3316447
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate?
The IUPAC name of methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate (CID 90120952) is methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate.
What is the SMILES notation for methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate?
The canonical SMILES for methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate is COC(=O)N/N=C/C=C/c1ccc(OC)cc1.
What is the InChIKey of methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate?
The InChIKey is MJIAYQMACKHDNJ-GUNLQBCDSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-16-11-7-5-10(6-8-11)4-3-9-13-14-12(15)17-2/h3-9H,1-2H3,(H,14,15)/b4-3+,13-9+.
What are the key properties of methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate?
methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate has a molecular weight of 234.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate is sourced from PubChem (CID 90120952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).