[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] thiophene-2-carboxylate

C15H17NO2S — CID 134107251

IUPAC[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] thiophene-2-carboxylate
SMILESC=C(C)C1CC=C(C)/C(=N/OC(=O)c2cccs2)C1
InChIInChI=1S/C15H17NO2S/c1-10(2)12-7-6-11(3)13(9-12)16-18-15(17)14-5-4-8-19-14/h4-6,8,12H,1,7,9H2,2-3H3/b16-13+
InChIKeyXNPHVHJVZWTWSU-DTQAZKPQSA-N
MW275.37 g/mol
LogP4.19
Rot. Bonds3

About [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] thiophene-2-carboxylate

[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] thiophene-2-carboxylate (PubChem CID 134107251) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] thiophene-2-carboxylate
PubChem CID134107251
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] thiophene-2-carboxylate
SMILESC=C(C)C1CC=C(C)/C(=N/OC(=O)c2cccs2)C1
InChIInChI=1S/C15H17NO2S/c1-10(2)12-7-6-11(3)13(9-12)16-18-15(17)14-5-4-8-19-14/h4-6,8,12H,1,7,9H2,2-3H3/b16-13+
InChIKeyXNPHVHJVZWTWSU-DTQAZKPQSA-N
XLogP4.19
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] thiophene-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate
CID 42695273
N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 6141737
2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 4208427
2-(2-methylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
CID 4041514
4-[2-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid
CID 8971356
4-hydroxy-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 6510708
2-(3-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 742967
(1S)-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7428888
2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide
CID 8518721
azane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen
CID 172962853
[(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] thiophene-2-carboxylate
CID 3855654
(3R)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9237800

Frequently Asked Questions

What is the IUPAC name of [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] thiophene-2-carboxylate?
The IUPAC name of [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] thiophene-2-carboxylate (CID 134107251) is [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] thiophene-2-carboxylate.
What is the SMILES notation for [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] thiophene-2-carboxylate?
The canonical SMILES for [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] thiophene-2-carboxylate is C=C(C)C1CC=C(C)/C(=N/OC(=O)c2cccs2)C1.
What is the InChIKey of [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] thiophene-2-carboxylate?
The InChIKey is XNPHVHJVZWTWSU-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10(2)12-7-6-11(3)13(9-12)16-18-15(17)14-5-4-8-19-14/h4-6,8,12H,1,7,9H2,2-3H3/b16-13+.
What are the key properties of [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] thiophene-2-carboxylate?
[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] thiophene-2-carboxylate has a molecular weight of 275.37 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] thiophene-2-carboxylate is sourced from PubChem (CID 134107251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).