methyl (5E)-5-[(3-methoxyanilino)methylidene]cyclopenta-1,3-diene-1-carboxylate

C15H15NO3 — CID 134112330

IUPACmethyl (5E)-5-[(3-methoxyanilino)methylidene]cyclopenta-1,3-diene-1-carboxylate
SMILESCOC(=O)C1=CC=C/C1=C\Nc1cccc(OC)c1
InChIInChI=1S/C15H15NO3/c1-18-13-7-4-6-12(9-13)16-10-11-5-3-8-14(11)15(17)19-2/h3-10,16H,1-2H3/b11-10+
InChIKeyWPOHJODEBCVDIY-ZHACJKMWSA-N
MW257.29 g/mol
LogP2.66
Rot. Bonds4

About methyl (5E)-5-[(3-methoxyanilino)methylidene]cyclopenta-1,3-diene-1-carboxylate

methyl (5E)-5-[(3-methoxyanilino)methylidene]cyclopenta-1,3-diene-1-carboxylate (PubChem CID 134112330) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl (5E)-5-[(3-methoxyanilino)methylidene]cyclopenta-1,3-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl (5E)-5-[(3-methoxyanilino)methylidene]cyclopenta-1,3-diene-1-carboxylate
PubChem CID134112330
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl (5E)-5-[(3-methoxyanilino)methylidene]cyclopenta-1,3-diene-1-carboxylate
SMILESCOC(=O)C1=CC=C/C1=C\Nc1cccc(OC)c1
InChIInChI=1S/C15H15NO3/c1-18-13-7-4-6-12(9-13)16-10-11-5-3-8-14(11)15(17)19-2/h3-10,16H,1-2H3/b11-10+
InChIKeyWPOHJODEBCVDIY-ZHACJKMWSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methane;N-(3-methoxyphenyl)acetamide
CID 161026095
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
2-[(3-methoxyanilino)methylidene]cycloheptan-1-one
CID 3903364
(1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride
CID 22909163
(3-methoxyphenyl)hydrazine;phosphoric acid
CID 138619503
(Z)-3-(3-methoxyanilino)-2-phenylprop-2-enoate
CID 18771371
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-cyano-3-(3-methoxyphenyl)urea
CID 22351200
N-(3-methoxyphenyl)-3-oxopropanamide;tungsten
CID 155694701
1-methoxy-2-(3-methoxyphenyl)hydrazine;phosphoric acid
CID 174886851

Frequently Asked Questions

What is the IUPAC name of methyl (5E)-5-[(3-methoxyanilino)methylidene]cyclopenta-1,3-diene-1-carboxylate?
The IUPAC name of methyl (5E)-5-[(3-methoxyanilino)methylidene]cyclopenta-1,3-diene-1-carboxylate (CID 134112330) is methyl (5E)-5-[(3-methoxyanilino)methylidene]cyclopenta-1,3-diene-1-carboxylate.
What is the SMILES notation for methyl (5E)-5-[(3-methoxyanilino)methylidene]cyclopenta-1,3-diene-1-carboxylate?
The canonical SMILES for methyl (5E)-5-[(3-methoxyanilino)methylidene]cyclopenta-1,3-diene-1-carboxylate is COC(=O)C1=CC=C/C1=C\Nc1cccc(OC)c1.
What is the InChIKey of methyl (5E)-5-[(3-methoxyanilino)methylidene]cyclopenta-1,3-diene-1-carboxylate?
The InChIKey is WPOHJODEBCVDIY-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H15NO3/c1-18-13-7-4-6-12(9-13)16-10-11-5-3-8-14(11)15(17)19-2/h3-10,16H,1-2H3/b11-10+.
What are the key properties of methyl (5E)-5-[(3-methoxyanilino)methylidene]cyclopenta-1,3-diene-1-carboxylate?
methyl (5E)-5-[(3-methoxyanilino)methylidene]cyclopenta-1,3-diene-1-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5E)-5-[(3-methoxyanilino)methylidene]cyclopenta-1,3-diene-1-carboxylate is sourced from PubChem (CID 134112330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).